9-氟-17,21-二羟基-孕甾-4-烯-3,11,20-三酮
[CAS# 79-60-7]

基本信息

• 产品名称: 9-氟-17,21-二羟基-孕甾-4-烯-3,11,20-三酮
• 英文名: 9-Fluoro-17,21-Dihydroxy-Pregn-4-Ene-3,11,20-Trione
• 别名: (8S,10S,13S,14S,17R)-9-Fluoro-17-Hydroxy-17-(2-Hydroxy-1-Oxoethyl)-10,13-Dimethyl-2,6,7,8,12,14,15,16-Octahydro-1H-Cyclopenta[A]Phenanthrene-3,11-Dione; (8S,10S,13S,14S,17R)-9-Fluoro-17-Glycoloyl-17-Hydroxy-10,13-Dimethyl-2,6,7,8,12,14,15,16-Octahydro-1H-Cyclopenta[A]Phenanthrene-3,11-Quinone; (8S,10S,13S,14S,17R)-9-Fluoro-17-Hydroxy-17-(2-Hydroxyethanoyl)-10,13-Dimethyl-2,6,7,8,12,14,15,16-Octahydro-1H-Cyclopenta[A]Phenanthrene-3,11-Dione
• 分子式: C₂₁H₂₇FO₅
• 分子量: 378.44
• CAS 登录号: 79-60-7
• 分子行输入简码 SMILES: [C@H]34[C@H]2C(F)([C@@]1(C(=CC(=O)CC1)CC2)C)C(=O)C[C@@]3([C@](O)(CC4)C(=O)CO)C
• 国际化学标识码 InChI: 1S/C21H27FO5/c1-18-7-5-13(24)9-12(18)3-4-15-14-6-8-20(27,17(26)11-23)19(14,2)10-16(25)21(15,18)22/h9,14-15,23,27H,3-8,10-11H2,1-2H3/t14-,15-,18-,19-,20-,21?/m0/s1
• 国际化学标识检索码 InChIKey: BHDHELFREODRJK-LKNKEJRYSA-N

物理化学性质

• 密度: 1.328g/cm³ （计算值）
• 沸点: 557.209°C at 760 mmHg （计算值）
• 闪点: 290.79°C （计算值）