5-beta-孕甾烷-17,21-二醇-3,20-二酮
[CAS# 566-42-7]

基本信息

• 产品名称: 5-beta-孕甾烷-17,21-二醇-3,20-二酮
• 英文名: 5-beta-Pregnan-17,21-Diol-3,20-Dione
• 别名: (5R,8R,9S,10S,13S,14S,17R)-17-Hydroxy-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; (5R,8R,9S,10S,13S,14S,17R)-17-Glycoloyl-17-Hydroxy-10,13-Dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-One; (5R,8R,9S,10S,13S,14S,17R)-17-Hydroxy-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: C₂₁H₃₂O₄
• 分子量: 348.48
• CAS 登录号: 566-42-7
• 分子行输入简码 SMILES: [C@H]34[C@H]2[C@@H]([C@@]1([C@@H](CC(=O)CC1)CC2)C)CC[C@@]3([C@](C(CO)=O)(O)CC4)C
• 国际化学标识码 InChI: 1S/C21H32O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h13,15-17,22,25H,3-12H2,1-2H3/t13-,15-,16+,17+,19+,20+,21+/m1/s1
• 国际化学标识检索码 InChIKey: WNIBSYGPDJBVOA-BRRPRDELSA-N

物理化学性质

• 密度: 1.182g/cm³ （计算值）
• 沸点: 503.961°C at 760 mmHg （计算值）
• 闪点: 272.679°C （计算值）