Podophyllic acid
(5R,6R,7R,8R)-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-6-carboxylic acid
Also Known As: Podophyllinic acid|Podophyllic acid|Diaethyl-(2-chlor-1-(2,4-dichlorphenyl))-vinyl-phosphat|PODOPHYLLIC ACIDS, 2,3-TRANS-HYDROXY ACID-|PODOPHYLLIC ACIDS 2,3-TRANS-HYDROXY ACID [MI]|Diaethyl-(2-chlor-1-(2,4-dichlorphenyl))-vinyl-phosphat [German]|(5R,6R,7R,8R)-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-6-carboxylic acid|Naphtho(2,3-d)-1,3-dioxole-6-carboxylic acid, 5,6,7,8-tetrahydro-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-, (5R,6R,7R,8R)-|(5R)-5,6,7,8-Tetrahydro-8beta-hydroxy-7alpha-(hydroxymethyl)-5beta-(3,4,5-trimethoxyphenyl)naphtho[2,3-d]-1,3-dioxole-6beta-carboxylic acid|(5R,6R,7R,8R)-8-HYDROXY-7-(HYDROXYMETHYL)-5-(3,4,5-TRIMETHOXYPHENYL)-2H,5H,6H,7H,8H-NAPHTHO[2,3-D][1,3]DIOXOLE-6-CARBOXYLIC ACID|(5R,6R,7R,8R)-8-Hydroxy-7-hydroxymethyl-5-(3,4,5-trimethoxy-phenyl)-5,6,7,8-tetrahydro-naphtho[2,3-d][1,3]dioxole-6-carboxylic acid|5,6,7,8-Tetrahydro-8beta-hydroxy-7alpha-(hydroxymethyl)-5beta-(3,4,5-trimethoxyphenyl)naphtho[2,3-d]-1,3-dioxole-6beta-carboxylic acid|Naphtho[2,3-d]-1,3-dioxole-6-carboxylic acid, 5,6,7,8-tetrahydro-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-, [5R-(5.alpha.,6.alpha.,7.beta.,8.alpha.)]-
| Molecular Formula | C22H24O9 |
|---|---|
| Molecular Weight | 432.14203 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 432.14203 |
| Monoisotopic Mass | 432.14203 |
| Heavy Atoms | 31 |
| Complexity | 616.0 |
Chemical Identifiers
| CAS Number | 4354-75-0 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)[C@H]2[C@H]([C@@H]([C@H](C3=CC4=C(C=C23)OCO4)O)CO)C(=O)O |
| InChIKey | XRBSKUSTLXISAB-XVVDYKMHSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Podophyllic acid (CAS 4354-75-0), with molecular formula C22H24O9 and molecular weight 432.14203 g/mol. IUPAC: (5R,6R,7R,8R)-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-6-carboxylic acid.
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