(5R,5aR,8aR,9R)-5-(4-Isopentyloxy-3,5-Dimethoxy-Phenyl)-9-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-5a,8,8a,9-Tetrahydro-5H-Isobenzofurano[5,6-f][1,3]Benzodioxol-6-One
[CAS# 73839-74-4]

Identification

• Name: (5R,5aR,8aR,9R)-5-(4-Isopentyloxy-3,5-Dimethoxy-Phenyl)-9-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-5a,8,8a,9-Tetrahydro-5H-Isobenzofurano[5,6-f][1,3]Benzodioxol-6-One
• Synonyms: (5R,5Ar,8Ar,9R)-5-(4-Isopentyloxy-3,5-Dimethoxyphenyl)-9-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-5A,8,8A,9-Tetrahydro-5H-Isobenzofurano[5,6-F][1,3]Benzodioxol-6-One; (5R,5Ar,8Ar,9R)-5-(4-Isoamoxy-3,5-Dimethoxy-Phenyl)-9-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-5A,8,8A,9-Tetrahydro-5H-Isobenzofurano[5,6-F][1,3]Benzodioxol-6-One; 4'-Isoamyl-Demethylpodophyllotoxin-Glucosid [German]
• Molecular Formula: C₃₂H₄₀O₁₃
• Molecular Weight: 632.66
• CAS Registry Number: 73839-74-4
• SMILES: [C@@H]3(C2=C(C=C1OCOC1=C2)[C@H]([C@@H]4[C@@H]3COC4=O)C5=CC(=C(C(=C5)OC)OCCC(C)C)OC)O[C@H]6[C@H](O)[C@@H](O)[C@H](O)[C@H](O6)CO
• InChI: 1S/C32H40O13/c1-14(2)5-6-40-30-21(38-3)7-15(8-22(30)39-4)24-16-9-19-20(43-13-42-19)10-17(16)29(18-12-41-31(37)25(18)24)45-32-28(36)27(35)26(34)23(11-33)44-32/h7-10,14,18,23-29,32-36H,5-6,11-13H2,1-4H3/t18-,23+,24+,25-,26+,27-,28+,29-,32-/m0/s1
• InChIKey: WJZGELLWXTXUGP-RQEQWCBGSA-N

Properties

• Density: 1.449g/cm³ (Cal.)
• Boiling point: 797.12°C at 760 mmHg (Cal.)
• Flash point: 253.732°C (Cal.)