7-Oxocholest-5-En-3-beta-Yl Acetate
[CAS# 809-51-8]

Identification

• Name: 7-Oxocholest-5-En-3-beta-Yl Acetate
• Synonyms: [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-7-Oxo-1,2,3,4,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-Yl] Acetate; Acetic Acid [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-7-Oxo-1,2,3,4,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-Yl] Ester; Acetic Acid [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-7-Keto-10,13-Dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-Yl] Ester
• Molecular Formula: C₂₉H₄₆O₃
• Molecular Weight: 442.68
• CAS Registry Number: 809-51-8
• EINECS: 212-368-1
• SMILES: [C@H]23[C@H]1[C@@]([C@H](CC1)[C@@H](CCCC(C)C)C)(CC[C@@H]2[C@@]4(C(=CC3=O)C[C@@H](OC(=O)C)CC4)C)C
• InChI: 1S/C29H46O3/c1-18(2)8-7-9-19(3)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(32-20(4)30)16-21(28)17-26(27)31/h17-19,22-25,27H,7-16H2,1-6H3/t19-,22+,23-,24+,25+,27+,28+,29-/m1/s1
• InChIKey: PMBSWZWCNKVWLV-OLVLZXMISA-N

Properties

• Density: 1.039g/cm³ (Cal.)
• Boiling point: 526.874°C at 760 mmHg (Cal.)
• Flash point: 220.873°C (Cal.)

References

• (1): Zhen Yao, Xingbang Hu, Jianyong Mao and Haoran Li. An environmentally benign catalyticoxidation of cholesteryl acetate with molecular oxygen by using N-hydroxyphthalimide, Green Chem., 2009, 11, 2013.