[(5R,5aR,8aR,9R)-9-(4-Hydroxy-3,5-Dimethoxy-Phenyl)-8-Oxo-5a,6,8a,9-Tetrahydro-5H-Isobenzofurano[5,6-f][1,3]Benzodioxol-5-Yl] Butanoate
[CAS# 153448-17-0]

Identification

• Name: [(5R,5aR,8aR,9R)-9-(4-Hydroxy-3,5-Dimethoxy-Phenyl)-8-Oxo-5a,6,8a,9-Tetrahydro-5H-Isobenzofurano[5,6-f][1,3]Benzodioxol-5-Yl] Butanoate
• Synonyms: Butanoic Acid [(5R,5Ar,8Ar,9R)-9-(4-Hydroxy-3,5-Dimethoxyphenyl)-8-Oxo-5A,6,8A,9-Tetrahydro-5H-Isobenzofurano[5,6-F][1,3]Benzodioxol-5-Yl] Ester; Butyric Acid [(5R,5Ar,8Ar,9R)-9-(4-Hydroxy-3,5-Dimethoxy-Phenyl)-8-Keto-5A,6,8A,9-Tetrahydro-5H-Isobenzofurano[5,6-F][1,3]Benzodioxol-5-Yl] Ester; 4-O-Butanoyl-4'-Demethylpodophyllotoxin
• Molecular Formula: C₂₅H₂₆O₉
• Molecular Weight: 470.48
• CAS Registry Number: 153448-17-0
• SMILES: [C@H]35[C@@H]([C@@H](OC(=O)CCC)C2=CC1=C(OCO1)C=C2[C@H]3C4=CC(=C(O)C(=C4)OC)OC)COC5=O
• InChI: 1S/C25H26O9/c1-4-5-20(26)34-24-14-9-17-16(32-11-33-17)8-13(14)21(22-15(24)10-31-25(22)28)12-6-18(29-2)23(27)19(7-12)30-3/h6-9,15,21-22,24,27H,4-5,10-11H2,1-3H3/t15-,21+,22-,24-/m0/s1
• InChIKey: IZICVMOVTLJVDP-ANCALKEFSA-N

Properties

• Density: 1.414g/cm³ (Cal.)
• Boiling point: 632.556°C at 760 mmHg (Cal.)
• Flash point: 214.488°C (Cal.)