7-氧代胆甾-5-烯-3-beta-基乙酸酯
[CAS# 809-51-8]

基本信息

• 产品名称: 7-氧代胆甾-5-烯-3-beta-基乙酸酯
• 英文名: 7-Oxocholest-5-En-3-beta-Yl Acetate
• 别名: [(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
• 分子式: C₂₉H₄₆O₃
• 分子量: 442.68
• CAS 登录号: 809-51-8
• EINECS 登录号: 212-368-1
• 分子行输入简码 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
• 国际化学标识码 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
• 国际化学标识检索码 InChIKey: PMBSWZWCNKVWLV-OLVLZXMISA-N

物理化学性质

• 密度: 1.039g/cm³ （计算值）
• 沸点: 526.874°C at 760 mmHg （计算值）
• 闪点: 220.873°C （计算值）

参考文献

• (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.