1-[(3R,5S,8S,10S,13S,14S)-3-羟基-10,13-二甲基-2,3,4,5,6,7,8,12,14,15-十氢-1H-环戊二烯并[a]菲-17-基]乙酮
[CAS# 38393-04-3]

基本信息

• 产品名称: 1-[(3R,5S,8S,10S,13S,14S)-3-羟基-10,13-二甲基-2,3,4,5,6,7,8,12,14,15-十氢-1H-环戊二烯并[a]菲-17-基]乙酮
• 英文名: 1-[(3R,5S,8S,10S,13S,14S)-3-Hydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,12,14,15-Decahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Ethanone
• 别名: Pregna-9(11),16-Dien-20-One, 3-Hydroxy-, (3Alpha,5Alpha)-; 3-Hpdo; 3Alpha-Hydroxy-5Alpha-Pregna-9(11),16-Diene-20-One
• 分子式: C₂₁H₃₀O₂
• 分子量: 314.47
• CAS 登录号: 38393-04-3
• 分子行输入简码 SMILES: [C@H]12[C@H]3C(=CC[C@@]1(C(=CC2)C(=O)C)C)[C@@]4([C@@H](CC3)C[C@H](O)CC4)C
• 国际化学标识码 InChI: 1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,9,14-16,18,23H,4-5,7-8,10-12H2,1-3H3/t14-,15+,16-,18-,20-,21+/m0/s1
• 国际化学标识检索码 InChIKey: OAYVNTJIQBDDEZ-GEZWIXNASA-N

物理化学性质

• 密度: 1.113g/cm³ （计算值）
• 沸点: 459.458°C at 760 mmHg （计算值）
• 闪点: 195.576°C （计算值）