11-beta,17-alpha,21-三羟基-5-alpha-孕甾烷-3,20-二酮
[CAS# 516-41-6]

基本信息

• 产品名称: 11-beta,17-alpha,21-三羟基-5-alpha-孕甾烷-3,20-二酮
• 英文名: 11-beta,17-alpha,21-Trihydroxy-5-alpha-Pregnane-3,20-Dione
• 别名: (17R)-11,17-Dihydroxy-17-(2-Hydroxy-1-Oxoethyl)-10,13-Dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-One; (17R)-17-Glycoloyl-11,17-Dihydroxy-10,13-Dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-One; (17R)-11,17-Dihydroxy-17-(2-Hydroxyethanoyl)-10,13-Dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-One
• 分子式: C₂₁H₃₂O₅
• 分子量: 364.48
• CAS 登录号: 516-41-6
• 分子行输入简码 SMILES: [C@@]4(O)(C3(C(C1C(C2(C(CC1)CC(=O)CC2)C)C(O)C3)CC4)C)C(=O)CO
• 国际化学标识码 InChI: 1S/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12,14-16,18,22,24,26H,3-11H2,1-2H3/t12?,14?,15?,16?,18?,19?,20?,21-/m0/s1
• 国际化学标识检索码 InChIKey: ACSFOIGNUQUIGE-JYJHGPBPSA-N

物理化学性质

• 密度: 1.249g/cm³ （计算值）
• 沸点: 544.468°C at 760 mmHg （计算值）
• 闪点: 297.149°C （计算值）