(1S,3R,6aR,6bR,7aS,10R,10aS,12bS)-10-(3-Furyl)-4,4,6A,10A,12B-Pentamethyl-6,8-Dioxohexadecahydronaphtho[2,1-f]Oxireno[d]Isochromene-1,3-Diyl Diacetate
[CAS# 15004-51-0]

Identification

• Name: (1S,3R,6aR,6bR,7aS,10R,10aS,12bS)-10-(3-Furyl)-4,4,6A,10A,12B-Pentamethyl-6,8-Dioxohexadecahydronaphtho[2,1-f]Oxireno[d]Isochromene-1,3-Diyl Diacetate
• Synonyms: 7-DEACETOXY-7-OXOKHIVORIN; DivK1c_006147
• Molecular Formula: C₃₀H₃₈O₉
• Molecular Weight: 542.62
• CAS Registry Number: 15004-51-0
• SMILES: O=C5CC1C(C)(C)[C@H](OC(=O)C)C[C@H](OC(=O)C)[C@@]1(C6CC[C@]3(C)[C@@]4(O[C@@H]4C(=O)O[C@H]3c2ccoc2)[C@]56C)C
• InChI: 1S/C30H38O9/c1-15(31)36-21-13-22(37-16(2)32)28(6)18-8-10-27(5)23(17-9-11-35-14-17)38-25(34)24-30(27,39-24)29(18,7)20(33)12-19(28)26(21,3)4/h9,11,14,18-19,21-24H,8,10,12-13H2,1-7H3/t18?,19?,21-,22+,23+,24-,27+,28-,29+,30-/m1/s1
• InChIKey: IKFXPERBVFYFMS-DPILJLKXSA-N

Properties

• Density: 1.296g/cm³ (Cal.)
• Boiling point: 625.253°C at 760 mmHg (Cal.)
• Flash point: 331.941°C (Cal.)
• Refractive index: 1.567 (Cal.)