(5R,5aR,8aR,9R)-9-Hydroxy-10-Methoxy-5-(3,4,5-Trimethoxyphenyl)-5a,8,8a,9-Tetrahydro-5H-Isobenzofurano[6,5-f][1,3]Benzodioxol-6-One
[CAS# 128443-52-7]

Identification

• Name: (5R,5aR,8aR,9R)-9-Hydroxy-10-Methoxy-5-(3,4,5-Trimethoxyphenyl)-5a,8,8a,9-Tetrahydro-5H-Isobenzofurano[6,5-f][1,3]Benzodioxol-6-One
• Synonyms: (5R-(5Alpha,5Abeta,8Aalpha,9Alpha))-5,8,8A,9-Tetrahydro-9-Hydroxy-10-Methoxy-5-(3,4,5-Trimethoxyphenyl)Furo(3',4':6,7)Naphtho(2,3-D)-1,3-Dioxol-6(5Ah)-One; 5-Methoxypodophyllotoxin; Furo(3',4':6,7)Naphtho(2,3-D)-1,3-Dioxol-6(5Ah)-One, 5,8,8A,9-Tetrahydro-9-Hydroxy-10-Methoxy-5-(3,4,5-Trimethoxyphenyl)-, (5R-(5Alpha,5Abeta,8Aalpha,9Alpha))-
• Molecular Formula: C₂₃H₂₄O₉
• Molecular Weight: 444.44
• CAS Registry Number: 128443-52-7
• SMILES: [C@@H]45[C@H](C2=C(C1=C(OCO1)C=C2[C@@H](C3=CC(=C(C(=C3)OC)OC)OC)[C@H]4C(=O)OC5)OC)O
• InChI: 1S/C23H24O9/c1-26-13-5-10(6-14(27-2)20(13)28-3)16-11-7-15-21(32-9-31-15)22(29-4)18(11)19(24)12-8-30-23(25)17(12)16/h5-7,12,16-17,19,24H,8-9H2,1-4H3/t12-,16+,17-,19+/m0/s1
• InChIKey: PDQAOYGENRRPQO-UXDKQJBESA-N

Properties

• Density: 1.362g/cm³ (Cal.)
• Boiling point: 605.022°C at 760 mmHg (Cal.)
• Flash point: 208.703°C (Cal.)