[2-[(8S,10S,11S,13S,14S,17R)-9-氟-11,17-二羟基-10,13-二甲基-3-氧代-6,7,8,11,12,14,15,16-八氢环戊烯并[a]菲-17-基]-2-氧代乙基]甲烷磺酸酯
[CAS# 382-66-1]

基本信息

• 产品名称: [2-[(8S,10S,11S,13S,14S,17R)-9-氟-11,17-二羟基-10,13-二甲基-3-氧代-6,7,8,11,12,14,15,16-八氢环戊烯并[a]菲-17-基]-2-氧代乙基]甲烷磺酸酯
• 英文名: [2-[(8S,10S,11S,13S,14S,17R)-9-Fluoro-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[a]Phenanthren-17-Yl]-2-Oxoethyl] Methanesulfonate
• 别名: [2-[(8S,10S,11S,13S,14S,17R)-9-Fluoro-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] Methanesulfonate; Methanesulfonic Acid [2-[(8S,10S,11S,13S,14S,17R)-9-Fluoro-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxoethyl] Ester; Methanesulfonic Acid [2-[(8S,10S,11S,13S,14S,17R)-9-Fluoro-11,17-Dihydroxy-3-Keto-10,13-Dimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl] Ester
• 分子式: C₂₂H₂₉FO₇S
• 分子量: 456.53
• CAS 登录号: 382-66-1
• EINECS 登录号: 206-844-8
• 分子行输入简码 SMILES: [C@H]34[C@H]2C(F)([C@@]1(C(=CC(=O)C=C1)CC2)C)[C@@H](O)C[C@@]3([C@](O)(CC4)C(=O)CO[S](=O)(=O)C)C
• 国际化学标识码 InChI: 1S/C22H29FO7S/c1-19-8-6-14(24)10-13(19)4-5-16-15-7-9-21(27,18(26)12-30-31(3,28)29)20(15,2)11-17(25)22(16,19)23/h6,8,10,15-17,25,27H,4-5,7,9,11-12H2,1-3H3/t15-,16-,17-,19-,20-,21-,22?/m0/s1
• 国际化学标识检索码 InChIKey: KAJUOVVZFKDIDI-UHRCDHPLSA-N

物理化学性质

• 密度: 1.412g/cm³ （计算值）
• 沸点: 652.158°C at 760 mmHg （计算值）
• 闪点: 348.213°C （计算值）