(1S,3R,6R,6aS,6bR,7aS,10R,10aS,12bS)-10-(3-Furyl)-4,4,6A,10A,12B-Pentamethyl-8-Oxohexadecahydronaphtho[2,1-f]Oxireno[d]Isochromene-1,3,6-Triyl Triacetate
[CAS# 2524-38-1]

Identification

• Name: (1S,3R,6R,6aS,6bR,7aS,10R,10aS,12bS)-10-(3-Furyl)-4,4,6A,10A,12B-Pentamethyl-8-Oxohexadecahydronaphtho[2,1-f]Oxireno[d]Isochromene-1,3,6-Triyl Triacetate
• Synonyms: KHIVORIN; DivK1c_006235
• Molecular Formula: C₃₂H₄₂O₁₀
• Molecular Weight: 586.67
• CAS Registry Number: 2524-38-1
• SMILES: O=C4O[C@@H](c1ccoc1)[C@@]6(CCC2[C@]([C@H](OC(=O)C)CC3[C@]2(C)[C@@H](OC(=O)C)C[C@@H](OC(=O)C)C3(C)C)(C)[C@]65O[C@H]45)C
• InChI: 1S/C32H42O10/c1-16(33)38-22-14-23(39-17(2)34)30(7)20-9-11-29(6)25(19-10-12-37-15-19)41-27(36)26-32(29,42-26)31(20,8)24(40-18(3)35)13-21(30)28(22,4)5/h10,12,15,20-26H,9,11,13-14H2,1-8H3/t20?,21?,22-,23+,24-,25+,26-,29+,30-,31+,32-/m1/s1
• InChIKey: ODLCLZLDYDHRGT-GWFYQBBHSA-N

Properties

• Density: 1.283g/cm³ (Cal.)
• Boiling point: 634.679°C at 760 mmHg (Cal.)
• Flash point: 337.642°C (Cal.)
• Refractive index: 1.559 (Cal.)