Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, analytical standard, ≥98% Analytical standard,Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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.
Picropodophyllotoxin is an insulin-like growth factor-I (IGF-I) receptor kinase inhibitor.
| Sonrisas canónicas | COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)O |
|---|---|
| IUPAC Name | (5R,5aR,8aS,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one |
| InChIKey | YJGVMLPVUAXIQN-HAEOHBJNSA-N |
| INCHI | 1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19+,20-/m0/s1 |
| Isómeros SMILES | COC1=CC(=CC(=C1OC)OC)[C@H]2[C@H]3[C@H](COC3=O)[C@H](C4=CC5=C(C=C24)OCO5)O |
| WGK Alemania | 3 |
| RTECS | LV2510000 |
| Número ONU | 3462 |
| Peso molecular | 414.41 |
| Reaxy-Rn | 366516 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=366516&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lignans, neolignans and related compounds |
| Clase | Lignan lactones |
| Subclass | Podophyllotoxins |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Podophyllotoxins |
| Alternative Parents | Aryltetralin lignans Furanonaphthodioxoles Tetralins Benzodioxoles Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Gamma butyrolactones Tetrahydrofurans Secondary alcohols Carboxylic acid esters Acetals Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Podophyllotoxin - 1-aryltetralin lignan - Linear furanonaphthodioxole - Naphthofuran - Tetralin - Benzodioxole - Phenoxy compound - Phenol ether - Anisole - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Gamma butyrolactone - Tetrahydrofuran - Secondary alcohol - Carboxylic acid ester - Lactone - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Ether - Oxacycle - Carboxylic acid derivative - Acetal - Organic oxygen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Aromatic heteropolycyclic compound |
| Descripción | This 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 | lignan - furonaphthodioxole |
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| Peso molecular | 414.400 g/mol |
|---|---|
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 414.131 Da |
| Monoisotopic Mass | 414.131 Da |
| Topological Polar Surface Area | 92.700 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 629.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| 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 |
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