(1aS-(1aR*,2R*,3S*,4aR*,6S*,7S*,7aS*,8E,10R*,11R*,11aS*))-2,7,11-Tris(Acetyloxy)-10-(Benzoyloxy)-1a,2,3,6,7,10,11,11a-Octahydro-1,1,3,6,9-Pentamethyl-4a,7a-Epoxy-5H-Cyclopenta(a)Cyclopropa(F)Cyclodecen-4(1H)-One
[CAS# 135467-87-7]

Identification

• Name: (1aS-(1aR*,2R*,3S*,4aR*,6S*,7S*,7aS*,8E,10R*,11R*,11aS*))-2,7,11-Tris(Acetyloxy)-10-(Benzoyloxy)-1a,2,3,6,7,10,11,11a-Octahydro-1,1,3,6,9-Pentamethyl-4a,7a-Epoxy-5H-Cyclopenta(a)Cyclopropa(F)Cyclodecen-4(1H)-One
• Synonyms: 7-Benzoyl-Ingol-3,8,12-Acetate; 7-Benzoylingol-3,8,12-Triacetate; 7-Boat
• Molecular Formula: C₃₃H₄₀O₁₀
• Molecular Weight: 596.67
• CAS Registry Number: 135467-87-7
• SMILES: [C@H]14[C@H](C1(C)C)[C@H](OC(=O)C)[C@@H](OC(=O)C2=CC=CC=C2)\C(=C/[C@]35O[C@@]3(C(=O)[C@@H]([C@H]4OC(=O)C)C)C[C@H]([C@H]5OC(=O)C)C)C
• InChI: 1S/C33H40O10/c1-16-14-33-29(41-21(6)36)17(2)15-32(33,43-33)28(37)18(3)26(39-19(4)34)23-24(31(23,7)8)27(40-20(5)35)25(16)42-30(38)22-12-10-9-11-13-22/h9-14,17-18,23-27,29H,15H2,1-8H3/b16-14-/t17-,18-,23-,24+,25+,26-,27+,29-,32-,33-/m1/s1
• InChIKey: LPVJWXJBZPCDLM-HUWNQDJBSA-N

Properties

• Density: 1.277g/cm³ (Cal.)
• Boiling point: 657.621°C at 760 mmHg (Cal.)
• Flash point: 272.318°C (Cal.)