3alpha,17,21-三羟基-5-beta-孕甾烷-11,20-二酮
[CAS# 53-05-4]

基本信息

• 产品名称: 3alpha,17,21-三羟基-5-beta-孕甾烷-11,20-二酮
• 英文名: 3alpha,17,21-Trihydroxy-5-beta-Pregnane-11,20-Dione
• 别名: (3R,5R,8S,9S,10S,13S,14S,17R)-3,17-Dihydroxy-17-(2-Hydroxy-1-Oxoethyl)-10,13-Dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-Dodecahydro-1H-Cyclopenta[A]Phenanthren-11-One; (3R,5R,8S,9S,10S,13S,14S,17R)-17-Glycoloyl-3,17-Dihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-Dodecahydro-1H-Cyclopenta[A]Phenanthren-11-One; (3R,5R,8S,9S,10S,13S,14S,17R)-3,17-Dihydroxy-17-(2-Hydroxyethanoyl)-10,13-Dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-Dodecahydro-1H-Cyclopenta[A]Phenanthren-11-One
• 分子式: C₂₁H₃₂O₅
• 分子量: 364.48
• CAS 登录号: 53-05-4
• EINECS 登录号: 200-161-9
• 分子行输入简码 SMILES: [C@H]13[C@@H]([C@@]2([C@H](CC1)C[C@H](O)CC2)C)C(=O)C[C@]4([C@H]3CC[C@]4(O)C(=O)CO)C
• 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/h12-15,18,22-23,26H,3-11H2,1-2H3/t12-,13-,14+,15+,18-,19+,20+,21+/m1/s1
• 国际化学标识检索码 InChIKey: SYGWGHVTLUBCEM-ZIZPXRJBSA-N

物理化学性质

• 密度: 1.2±0.1g/cm³ （计算值）
• 沸点: 544.5±50.0°C at 760 mmHg （计算值）
• 闪点: 297.1±26.6°C （计算值）