4'-Demethylpodophyllotoxin - ≥98% , CAS No.40505-27-9

CAS: 40505-27-9 Cat. No.: D413075 Formula: C21H20O8 Peso molecolare: 400.38
Disponibile su ordine
GRADE & PURITY ≥98%
Synonyms
AS-58706 | FURO(3',4':6,7)NAPHTHO(2,3-D)-1,3-DIOXOL-6(5AH)-ONE, 5,8,8A,9-TETRAHYDRO-9-HYDROXY-5-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-, (5R,5AR,8AR,9R)- | UNII-7N5E50463V | s3908 | SCHEMBL12278154 | Q27105499 | AC-34637 | 7N5E50463V | CHEBI:1730 | DTXSID2013117
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
Size
Germania (EU)
USA*
Price
Qty
5mg
D413075-5mg
—
3 Disponibile

45,04€

67,60€
Salva 22,56 € (33.38%)
25mg
D413075-25mg
—
2 Disponibile

166,52€

249,82€
Salva 83,30 € (33.34%)
50mg
D413075-50mg
Su ordinazione · 8–12 settimane

241,14€

361,76€
Salva 120,62 € (33.34%)
100mg
D413075-100mg
Su ordinazione · 8–12 settimane

340,07€

510,14€
Salva 170,08 € (33.34%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Panoramica

Information

4'-Demethylpodophyllotoxin is isolated from the herb of Dysosma pleiantha (Hance) Woodson with remarkable cytotoxic potential in diverse cancer cell lines.


In vivo

The mean pharmacokinetic parameters of 4\'-Demethylpodophyllotoxin after oral administration of 367 mg/kg Diphylleia sinensis extract: Cmax=42.4 ± 14.6 ng/ml, Tmax= 1.60 ± 0.92 h, T1/2z=3.35 ± 0.85 h, AUC(0-t)=262 ± 122 ng·h/ml and AUC(0-∞)=301 ± 129 ng·h/ml.

Specifications

Sinonimi
AS-58706 | FURO(3',4':6,7)NAPHTHO(2,3-D)-1,3-DIOXOL-6(5AH)-ONE, 5,8,8A,9-TETRAHYDRO-9-HYDROXY-5-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-, (5R,5AR,8AR,9R)- | UNII-7N5E50463V | s3908 | SCHEMBL12278154 | Q27105499 | AC-34637 | 7N5E50463V | CHEBI:1730 | DTXSID2013117
Specifiche e purezza
≥98%
Meccanismi biochimici e fisiologici
4'-Demethylpodophyllotoxin is isolated from the herb of Dysosma pleiantha (Hance) Woodson with remarkable cytotoxic potential in diverse cancer cell lines.
Condizioni di conservazione di stoccaggio
Store at -20°C
Spedito in
Ice chest + Ice pads
Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.
Purezza
≥98%
Proprietà del prodotto
ALogP1.886
hba_count6
Conteggio HBD2
Legame rotabile3
Nomi e identificatori
Pubchem Sid504756876
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504756876
Sorrisi canoniciCOC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)O
IUPAC Name(5R,5aR,8aR,9R)-5-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
InChIKeyYVCVYCSAAZQOJI-BTINSWFASA-N
INCHI1S/C21H20O8/c1-25-15-3-9(4-16(26-2)20(15)23)17-10-5-13-14(29-8-28-13)6-11(10)19(22)12-7-27-21(24)18(12)17/h3-6,12,17-19,22-23H,7-8H2,1-2H3/t12-,17+,18-,19-/m0/s1
Isomeri SMILES COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](C4=CC5=C(C=C24)OCO5)O
Peso molecolare 400.38
Reaxy-Rn 365236
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=365236&ln=

Documentazione

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassLignans, neolignans and related compounds
ClasseLignan lactones
SubclassPodophyllotoxins
Intermediate Tree Nodes Not available
Direct ParentPodophyllotoxins
Alternative Parents Aryltetralin lignans  Furanonaphthodioxoles  Tetralins  Dimethoxybenzenes  Methoxyphenols  Benzodioxoles  Anisoles  Phenoxy compounds  Alkyl aryl ethers  Gamma butyrolactones  Tetrahydrofurans  Carboxylic acid esters  Secondary alcohols  Monocarboxylic acids and derivatives  Oxacyclic compounds  Acetals  Hydrocarbon derivatives  Carbonyl compounds  Organic oxides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Podophyllotoxin - 1-aryltetralin lignan - Linear furanonaphthodioxole - Naphthofuran - Methoxyphenol - M-dimethoxybenzene - Dimethoxybenzene - Tetralin - Benzodioxole - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Phenol - Benzenoid - Gamma butyrolactone - Monocyclic benzene moiety - Tetrahydrofuran - Lactone - Carboxylic acid ester - Secondary alcohol - Acetal - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Alcohol - Carbonyl group - Organic oxygen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
DescrizioneThis compound belongs to the class of organic compounds known as podophyllotoxins. These are tetralin lignans in which the benzene moiety of the tetralin skeleton is fused to a 1,3-dioxolane and the cyclohexane is fused to a butyrolactone (pyrrolidin-2-one).
External Descriptors Lignans
Struttura 3D
Modello di struttura chimica interattiva





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Meccanismi d'azione
Certificati (CoA, COO, BSE/TSE e tabella di analisi)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot NumberCertificate TypeDataOggetto
K2229559Certificate of AnalysisOct 13, 2022 D413075
K2229713Certificate of AnalysisOct 13, 2022 D413075
K2229714Certificate of AnalysisOct 13, 2022 D413075
K2229736Certificate of AnalysisOct 13, 2022 D413075
Proprietà chimiche e fisiche
SolubilitàSolubility (25°C) In vitro DMSO: 80 mg/mL (199.81 mM);    
DMSO (mg/mL) Solubilità massima80
DMSO (mM) Solubilità massima199.8101803
Peso molecolare400.400 g/mol
XLogP31.700
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass400.116 Da
Monoisotopic Mass400.116 Da
Topological Polar Surface Area104.000 Ų
Heavy Atom Count29
Formal Charge0
Complexity614.000
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calcolatori di soluzioni
Recensioni

Recensioni dei clienti

Domande frequenti

What is the purity of this product?
This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.
How should this product be stored?
Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.
How is this product shipped?
This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 40505-27-9, the molecular formula is C21H20O8, and the molecular weight is 400.38 g/mol. InChIKey YVCVYCSAAZQOJI-BTINSWFASA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

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