[(8S,10S,11S,13S,14S,16S)-9-氟-11-羟基-10,13,16-三甲基-17-甲硫基羰基-3-氧代-6,7,8,11,12,14,15,16-八氢环戊烯并[a]菲-17-基]乙酸酯
[CAS# 79578-14-6]

基本信息

• 产品名称: [(8S,10S,11S,13S,14S,16S)-9-氟-11-羟基-10,13,16-三甲基-17-甲硫基羰基-3-氧代-6,7,8,11,12,14,15,16-八氢环戊烯并[a]菲-17-基]乙酸酯
• 英文名: [(8S,10S,11S,13S,14S,16S)-9-Fluoro-11-Hydroxy-10,13,16-Trimethyl-17-Methylsulfanylcarbonyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[a]Phenanthren-17-Yl] Acetate
• 别名: Acetic Acid [(8S,10S,11S,13S,14S,16S)-9-Fluoro-11-Hydroxy-10,13,16-Trimethyl-17-[(Methylthio)-Oxomethyl]-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl] Ester; Acetic Acid [(8S,10S,11S,13S,14S,16S)-9-Fluoro-11-Hydroxy-3-Keto-10,13,16-Trimethyl-17-(Methylthio)Carbonyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl] Ester; [(8S,10S,11S,13S,14S,16S)-9-Fluoro-11-Hydroxy-10,13,16-Trimethyl-17-Methylsulfanylcarbonyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl] Ethanoate
• 分子式: C₂₄H₃₁FO₅S
• 分子量: 450.56
• CAS 登录号: 79578-14-6
• 分子行输入简码 SMILES: [C@H]12[C@@](C(OC(=O)C)([C@H](C1)C)C(SC)=O)(C[C@H](O)C3(F)[C@H]2CCC4=CC(=O)C=C[C@]34C)C
• 国际化学标识码 InChI: 1S/C24H31FO5S/c1-13-10-18-17-7-6-15-11-16(27)8-9-21(15,3)23(17,25)19(28)12-22(18,4)24(13,20(29)31-5)30-14(2)26/h8-9,11,13,17-19,28H,6-7,10,12H2,1-5H3/t13-,17-,18-,19-,21-,22-,23?,24?/m0/s1
• 国际化学标识检索码 InChIKey: NWJQIUPQBDVVLW-LWKYSAPBSA-N

物理化学性质

• 密度: 1.285g/cm³ （计算值）
• 沸点: 557.373°C at 760 mmHg （计算值）
• 闪点: 290.889°C （计算值）