Determine the necessary mass, volume, or concentration for preparing a solution.
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≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504755747 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504755747 |
| Sonrisas canónicas | CC(=O)OCC1=CC2C3C1C(OC=C3C(=O)O2)OC4C(C(C(C(O4)CO)O)O)O |
| IUPAC Name | [(4S,7S,8S,11S)-2-oxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[5.3.1.04,11]undeca-1(10),5-dien-6-yl]methyl acetate |
| InChIKey | IBIPGYWNOBGEMH-DILZHRMZSA-N |
| INCHI | 1S/C18H22O11/c1-6(20)25-4-7-2-9-12-8(16(24)27-9)5-26-17(11(7)12)29-18-15(23)14(22)13(21)10(3-19)28-18/h2,5,9-15,17-19,21-23H,3-4H2,1H3/t9-,10+,11+,12-,13+,14-,15+,17-,18-/m0/s1 |
| Isómeros SMILES | CC(=O)OCC1=C[C@H]2[C@H]3[C@@H]1[C@@H](OC=C3C(=O)O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O |
| Peso molecular | 414.4 |
| Reaxy-Rn | 54967385 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=54967385&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Clase | Organooxygen compounds |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Intermediate Tree Nodes | Glycosyl compounds |
| Direct Parent | O-glycosyl compounds |
| Alternative Parents | Hexoses Furopyrans Pyrans Oxanes Dicarboxylic acids and derivatives Gamma butyrolactones Vinylogous esters Tetrahydrofurans Enoate esters Furans Secondary alcohols Acetals Polyols Oxacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Primary alcohols |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Hexose monosaccharide - O-glycosyl compound - Furopyran - Dicarboxylic acid or derivatives - Gamma butyrolactone - Monosaccharide - Oxane - Pyran - Vinylogous ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tetrahydrofuran - Furan - Secondary alcohol - Carboxylic acid ester - Lactone - Organoheterocyclic compound - Carboxylic acid derivative - Polyol - Oxacycle - Acetal - Primary alcohol - Carbonyl group - Organic oxide - Alcohol - Hydrocarbon derivative - Aliphatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. |
| External Descriptors | Iridoids |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
| Certificate of Analysis | Jun 12, 2025 | A329543 | |
| Certificate of Analysis | Jun 12, 2025 | A329543 | |
| Certificate of Analysis | Jun 12, 2025 | A329543 | |
| Certificate of Analysis | Jun 12, 2025 | A329543 | |
| Certificate of Analysis | Jun 21, 2022 | A329543 |
| Sensibilidad | Light sensitive |
|---|---|
| Peso molecular | 414.400 g/mol |
| XLogP3 | -2.400 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 6 |
| Exact Mass | 414.116 Da |
| Monoisotopic Mass | 414.116 Da |
| Topological Polar Surface Area | 161.000 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 746.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 9 |
| 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 |