5a-孕甾烷-21-醇-3,20-二酮
[CAS# 298-36-2]

基本信息

• 产品名称: 5a-孕甾烷-21-醇-3,20-二酮
• 英文名: 5a-Pregnan-21-ol-3,20-dione
• 别名: (5S,8R,9S,10S,13S,14S,17S)-17-(2-Hydroxy-1-Oxoethyl)-10,13-Dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-One; (5S,8R,9S,10S,13S,14S,17S)-17-Glycoloyl-10,13-Dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-One; (5S,8R,9S,10S,13S,14S,17S)-17-(2-Hydroxyethanoyl)-10,13-Dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-One
• 分子式: C₂₁H₃₂O₃
• 分子量: 332.48
• CAS 登录号: 298-36-2
• 分子行输入简码 SMILES: [C@@]14(C)[C@H]([C@H]2[C@H](CC1)[C@]3(C)[C@@H](CC2)CC(CC3)=O)CC[C@@H]4C(CO)=O
• 国际化学标识码 InChI: 1S/C21H32O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13,15-18,22H,3-12H2,1-2H3/t13-,15-,16-,17-,18+,20-,21-/m0/s1
• 国际化学标识检索码 InChIKey: USPYDUPOCUYHQL-KVHKMPIWSA-N

物理化学性质

• 密度: 1.111g/cm³ （计算值）
• 沸点: 468.645°C at 760 mmHg （计算值）
• 闪点: 251.343°C （计算值）