This compound belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose.
External Descriptors
Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Certificati (CoA, COO, BSE/TSE e tabella di analisi)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Proprietà chimiche e fisiche
Peso molecolare
390.400 g/mol
XLogP3
1.000
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
8
Rotatable Bond Count
7
Exact Mass
390.131 Da
Monoisotopic Mass
390.131 Da
Topological Polar Surface Area
126.000 Ų
Heavy Atom Count
28
Formal Charge
0
Complexity
495.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
5
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Calcolatori di soluzioni
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Recensioni
Recensioni dei clienti
Application Protocols
No manufacturer-supplied protocols are provided for this item. The following general-purpose procedures are commonly used for small molecules in screening and analytical settings.
DMSO stock preparation
Warm the vial to ambient temperature in a desiccated environment.
Add dry DMSO to achieve 10–50 mg/mL; vortex and sonicate briefly. If undissolved, add in small solvent increments or switch to MeOH.
Aliquot into low-bind tubes; record exact concentration by weight/volume. Store at room temperature or refrigerated per stability assessment; minimize freeze–thaw.
Aqueous working solutions
Dilute DMSO stock into buffer or media to the desired final concentration, keeping DMSO ≤0.5–1% v/v.
Verify absence of precipitation visually and by a quick analytical check (UV or LC).
LC–MS reference standard
Prepare a 1 mg/mL primary standard in MeOH or ACN.
Generate a 7-point calibration (e.g., 0.5–1000 ng/mL) by serial dilution.
Store working standards in amber vials; confirm stability over the analytical run.
Adjust volumes and concentrations to your assay scale, and consult the SDS for handling precautions.
Biological Roles
Scope and caution
No medical or clinical claims are made. The information below reflects literature-level background and does not constitute item-specific specifications or performance claims.
Literature context (not item specification)
The name “tremuloidin” appears in natural-products literature associated with Populus (aspen) species. Compounds in this class are often studied as plant metabolites participating in defense and signaling, frequently categorized among phenolic or benzenoid glycosides.
Such metabolites can influence plant–herbivore interactions, oxidative stress responses, and carbon allocation, though exact roles and potencies are structure- and species-dependent.
Research utility (general)
In vitro assays: may serve as a tool compound to probe redox chemistry or glycoside processing enzymes, pending verification of structure and purity for the specific lot.
Metabolomics/chemoecology: useful as a reference standard for LC–MS/MS method development in plant extracts.
Always confirm the precise structure and purity of your material via the CoA and independent characterization before drawing biological conclusions.
Buffer Applications
This product is a small organic molecule and is not a buffering agent. There are no canonical buffer formulations associated with Tremuloidin. For experiments requiring aqueous compatibility, select an appropriate buffer (e.g., phosphate, HEPES, acetate) based on your biological/analytical system and confirm compound solubility and stability across the target pH. Consider co-solvents (e.g., ≤1% DMSO or ethanol) to aid dissolution when needed.
Green Alternatives
Context
Tremuloidin is supplied as a small-molecule solid (not a bulk solvent). “Green alternative” considerations therefore relate to how you handle, dissolve, and analyze the compound.
Greener choices for handling/analysis (general guidance)
Prefer ethanol or water/ethanol mixtures over chlorinated solvents where solubility allows.
For HPLC, consider water with bio-based solvents (e.g., ethanol) in place of acetonitrile or methanol when method performance is acceptable; note changes in viscosity/pressure.
Minimize DMSO volume in biological assays; explore PEG400/water cosolvent or cyclodextrin inclusion if compatible with your system.
Waste minimization
Scale down reactions/assays to micromole/low-milliliter volumes; use 96/384-well formats to reduce solvent consumption.
Implement inline/at-source solvent capture and recycling where validated.
Trade-offs
Ethanol and water are greener but may compromise solubility or chromatographic efficiency; acetonitrile offers lower backpressure and stronger elution but is less sustainable. Method re-optimization may be required.
This section provides general green-chemistry guidance; item-specific solvent constraints are not specified for this product.
Pharmaceutical Uses
No excipient or pharmacopeial status is specified for this item. This product is supplied strictly for research use only. In a pharmaceutical R&D context, compounds like Tremuloidin may be used as:
Analytical reference standards for plant-derived impurities or markers in botanically sourced materials.
Tool compounds in preformulation compatibility screens (e.g., solvent, pH, and excipient stress) to understand degradation pathways.
Method-development standards for chromatographic fingerprinting or stability-indicating assays.
If intended for regulated work, obtain full documentation (CoA, impurity profile, residual solvents, elemental analysis) and qualify the material per internal SOPs. No claims are made regarding GMP status, compendial compliance, or suitability for human/clinical use.
Physical Properties
Item-specific values
Appearance: Not specified for this item; refer to CoA/Spec Sheet.
Melting point, boiling point, density, refractive index, UV–Vis cutoff, logP/logD, pKa, solubility: Not specified for this item; refer to CoA/Spec Sheet.
Natural-product small molecules akin to phenolic glycosides are frequently isolated as off-white to tan solids with moderate polarity and strong UV absorbance in the near-UV due to an aromatic chromophore. Solubility often improves in polar protic solvents (e.g., methanol, ethanol) and DMSO.
If the compound bears carbohydrate or phenolic functionalities (as literature suggests for names like tremuloidin), it may be hygroscopic and display multiple hydrogen-bond donors/acceptors, affecting HPLC retention (early elution on C18 unless ion-pairing or higher aqueous content is used).
Practical characterization tips
Conduct a small-scale solubility screen (water, methanol, acetonitrile, isopropanol, DMSO, buffer pH 2–9). Begin at 1–10 mg/mL in DMSO, then dilute into aqueous media as needed.
For UV quantitation, record a full-spectrum scan (200–400 nm) to establish λmax before Beer–Lambert measurements.
DSC/TGA can reveal polymorphism or residual solvent; Karl Fischer titration helps assess water content if hygroscopicity is suspected (general guidance only). Always default to the product’s CoA for definitive physical data.
Quality and Grades
Item-specific grade/purity
Grade/Purity: Not specified for this item; refer to CoA/Spec Sheet.
What grade typically implies (general guidance)
Research or screening-library grade compounds are commonly supplied at ≥95% purity by HPLC/LC–MS, accompanied by structural confirmation (NMR/HRMS). Exact specifications, residual solvent limits, and moisture content are lot-dependent.
If UV-transparent solvents or chromatographic suitability are required (e.g., bioassay or LC–MS), vendors may report additional attributes such as low non-volatile residue, but these are not specified here.
Quality documentation
Verify the CoA for: purity assay method (HPLC/LC–MS), identity confirmations (1H NMR, 13C NMR, HRMS), water content (KF), residual solvents (GC), and appearance.
If your application is sensitive to trace metals, peroxides, stabilizers, or specific counter-ions, request extended QC data. In the absence of explicit stabilizers on this item, assume none are added, but confirm with the CoA.
Fit-for-purpose recommendations
For analytical reference/quantitation, consider in-house verification by orthogonal methods.
For screening, prepare fresh DMSO stocks, track freeze–thaw cycles, and document plate-map integrity. Where formulation or solid-state work is intended, request polymorph/solvate information and conduct PXRD/DSC as needed.
Reaction and Applications
Scope for this catalog item
Manufacturer application notes are not provided. Given its placement in a small-molecule library, typical uses include analytical reference standard, method development control, and screening compound in biochemical or phenotypic assays (research use only).
Analytical applications (general guidance)
LC–MS method development: optimize source parameters for aromatic small molecules; use 0.1% formic acid or ammonium acetate to control ionization.
Calibration/quantitation: prepare serial dilutions from a DMSO primary stock using volumetric glassware; verify linearity over 3–4 orders of magnitude.
Chemical handling and transformation (general notes, not specific to this item)
If the structure contains phenolic OH or glycosidic linkages (literature context), derivatization strategies include silylation (BSTFA/TMCS) for GC analysis, or acylation/alkylation for protection during synthesis.
Avoid strongly basic conditions for extended periods if acyl glycosides or esters are suspected; transesterification or hydrolysis may occur.
Tips for reproducibility
Record exact solvent composition, pH, and temperature for any assay involving the compound.
Validate compound identity and purity when initiating new campaigns or after long-term storage.
Note: No item-specific reactivity or named-reaction roles are claimed here; consult the CoA and primary literature for compound-specific chemistry.
Reaction Conditions
No named-reaction role or item-specific conditions are provided for Tremuloidin. For laboratories interested in handling or analyzing this compound rather than transforming it synthetically, consider the following general conditions relevant to small aromatic/phenolic analytes:
LC–MS analysis: mobile phase water/ACN or water/MeOH with 0.1% formic acid or ammonium acetate (2–10 mM). Column: C18, 2.1 × 100 mm, 1.7–3 µm; gradient 5–95% organic over 10–20 min.
Sample prep: dissolve at 1–10 mg/mL in DMSO or MeOH; dilute ≥100× into mobile phase to keep organic ≤1–2% before injection; 0.2 µm filtration recommended.
Stability scouting: incubate aliquots at pH 2, 7.4, and 9 at 25–40 °C; monitor by LC–MS to identify hydrolysis/oxidation pathways.
Derivatization (optional, if phenolic OH present): silylation (BSTFA/TMCS, 60 °C, 30–60 min) for GC–MS; acetylation (Ac2O/pyridine, rt–50 °C) for improved reversed-phase retention.
These parameters are intended as general starting points; optimize empirically for your specific lot and instrumentation. Always corroborate with the product’s CoA and SDS.
Safety and Handling
GHS/SDS status (item-specific)
Signal word, hazard statements, pictograms, and classification: Not specified for this item; refer to SDS for authoritative safety information.
General laboratory precautions (good practice)
Handle in a fume hood, avoid inhalation of dust/aerosols, and prevent skin/eye contact.
Recommended PPE: lab coat, safety glasses or goggles, appropriate chemical-resistant gloves (nitrile typically suitable), and closed footwear.
Avoid incompatible materials typical for organic compounds: strong oxidizers and strong bases/acids until compatibility is known. Do not heat to decomposition.
First-aid overview (consult SDS for details)
Inhalation: move to fresh air; seek medical attention if symptoms persist.
Skin/eye contact: rinse with copious water for at least 15 minutes; remove contaminated clothing; seek medical attention if irritation continues.
Ingestion: rinse mouth; do not induce vomiting; get medical attention.
Hygiene and waste
Keep containers tightly closed; minimize exposure to moisture and light unless otherwise specified.
Dispose of contents/container according to institutional and local regulations; segregate halogenated vs non-halogenated organic waste as applicable.
Note: Without item-specific hazards, always defer to the SDS accompanying your lot for final guidance.
Solvent Selection
Applicability
Specific solvent compatibility/solubility for this item is not provided. The guidance below outlines a robust selection strategy for small molecules of uncertain polarity.
General strategy
Primary stock: DMSO (10–50 mg/mL), then dilute into assay media or buffers; maintain final DMSO ≤0.5–1% v/v for most biochemical assays.
Polar organic options: methanol, ethanol, isopropanol—useful for preparing intermediate stocks or for LC sample prep; mix with water to reduce elution strength for RP-HPLC.
Aprotic options: acetonitrile, DMF. ACN is preferred for LC–MS due to volatility and low viscosity.
Aqueous work: test solubility in water or buffer across pH 2–9 (use dilute HCl/NaOH). Phenolic/glycosidic motifs (literature context) often gain solubility in aqueous-organic mixtures.
Selection tips
Start with a micro-solubility screen (1–2 mg in 0.5 mL solvent). Sonication and gentle warming (≤40 °C) can assist dissolution; avoid prolonged heating.
For stability-sensitive analytes, minimize exposure to basic media and strong oxidants; store solutions protected from light/moisture.
Chromatography considerations
RP-HPLC: water/ACN or water/MeOH with 0.1% formic acid often yields sharp peaks for phenolics; adjust gradient to control early elution.
Normal phase/HILIC may be appropriate if the compound is highly polar.
Always confirm your final solvent system empirically for your lot.
Storage and Reconstitution
Item-specific storage information
Storage conditions: Room temperature (as provided in Product Data).
Shipped in: Not specified for this item; refer to CoA/Spec Sheet.
General storage guidance (supplemental, not item specification)
Keep container tightly closed in a dry, well-ventilated place. Protect from excessive heat, moisture, and direct light.
For multi-use vials, consider transferring to a desiccator or adding desiccant packs to secondary containment.
Reconstitution guidance (general)
For stock solutions, begin with anhydrous DMSO or methanol. Typical starting concentrations: 10–50 mg/mL. If aqueous use is intended, dilute stocks into buffer immediately before use.
If particulate remains, use brief sonication and gentle warming (≤40 °C). Avoid strong base/acid unless stability is verified.
Prepare single-use aliquots to avoid repeated opening. Label with solvent, concentration, and date.
Stability monitoring
Track appearance, solution color, and LC–MS purity periodically. If degradation is detected, prepare fresh stock.
Always defer to the item’s CoA and SDS for definitive storage, stability, and reconstitution instructions for your specific lot.
Structure and Identity
Overview
SKU: T1041407
Product name: Tremuloidin (research-use chemical, cataloged in the small-molecule/compound library category)
CAS: 529-66-8
CID: 3083619
Item-specific identifiers from Product Data
InChIKey: Not specified for this item; refer to CoA/Spec Sheet. (The provided placeholder "94137" is not a valid InChIKey format.)
SMILES: Not specified for this item; refer to CoA/Spec Sheet.
Molecular formula: Not specified for this item; refer to CoA/Spec Sheet.
Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.
Structural features (general/literature context, not item specification)
Literature describes “tremuloidin” as a plant-derived small molecule reported from Populus (aspen) species; it is commonly discussed in the context of phenolic glycosides/benzenoid natural products. Exact substitution pattern and stereochemical configuration should be verified with the item’s CoA/SDS and primary literature for the precise lot you receive.
2D structure (descriptive, literature): often depicted as an aromatic (phenolic/benzylic) core linked to a carbohydrate-derived or ester/ether-containing moiety; verify against CoA.
Identity confirmation recommendations
For rigorous work, confirm with orthogonal techniques: HRMS (m/z), 1H/13C NMR (compare to literature spectra), LC–MS purity/retention time, and, if relevant, optical rotation for configurational assessment. Always reconcile with the specific CoA for this catalog item.
Synthetic Utility
Item-specific functional-group content is not provided. The following are general considerations for small molecules that, per literature naming conventions, may include phenolic and glycosidic/ester linkages.
Protection strategies (general): phenolic OH can be protected as benzyl or silyl ethers; carbohydrate-like hydroxyls can be masked as acetates/benzoylates for stepwise synthesis and deprotected under standard conditions.
Derivatization for analytics: phenolic and sugar hydroxyls readily undergo silylation (e.g., BSTFA) for GC–MS; acylation (Ac2O or DMAP-catalyzed) can improve chromatographic behavior.
Conjugation: if a free phenolic is present, coupling to activated esters (NHS) or carbonate formation enables immobilization on solid supports for affinity experiments (general strategy; verify functional groups first).
Hydrolytic lability: ester and glycosidic bonds are sensitive to base/acid and to certain enzymes; design synthetic steps to avoid prolonged extremes of pH and elevated temperature.
Because the precise functional groups of this catalog item are not specified here, confirm reactivity by small-scale test reactions and full analytical characterization before committing to multi-step sequences.
Target Specificity
Not applicable. This product is a small molecule, not an antibody or affinity reagent. No antigen, epitope, species reactivity, clone, or isotype information applies.
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