Podophyllinic acid
[CAS# 1853-37-8]

Identification

• Name: Podophyllinic acid
• Synonyms: (6R,7R)-9-Hydroxy-7-Methylol-4-(3,4,5-Trimethoxyphenyl)-5,6,7,8-Tetrahydrobenzo[F][1,3]Benzodioxole-6-Carboxylic Acid; Diaethyl-(2-Chlor-1-(2,4-Dichlorphenyl))-Vinyl-Phosphat [German]; Podophyllic Acid
• Molecular Formula: C₂₂H₂₄O₉
• Molecular Weight: 432.43
• CAS Registry Number: 1853-37-8
• SMILES: [C@@H]1([C@@H](CC2=C(C1)C(=C3C(=C2O)OCO3)C4=CC(=C(C(=C4)OC)OC)OC)CO)C(=O)O
• InChI: 1S/C22H24O9/c1-27-15-5-10(6-16(28-2)19(15)29-3)17-13-7-12(22(25)26)11(8-23)4-14(13)18(24)21-20(17)30-9-31-21/h5-6,11-12,23-24H,4,7-9H2,1-3H3,(H,25,26)/t11-,12+/m0/s1
• InChIKey: WOCCXYCZVLIOOH-NWDGAFQWSA-N

Properties

• Density: 1.377g/cm³ (Cal.)
• Boiling point: 652.265°C at 760 mmHg (Cal.)
• Flash point: 227.659°C (Cal.)