9-氟-11beta,17,21-三羟基-16beta-甲基孕甾-1,4-二烯-3,20-二酮 17,21-二(戊酸酯)
[CAS# 38196-44-0]

基本信息

• 产品名称: 9-氟-11beta,17,21-三羟基-16beta-甲基孕甾-1,4-二烯-3,20-二酮 17,21-二(戊酸酯)
• 英文名: 9-Fluoro-11beta,17,21-Trihydroxy-16beta-Methylpregna-1,4-Diene-3,20-Dione 17,21-Di(Valerate)
• 别名: Pentanoic Acid [(8S,9R,10S,11S,13S,14S,16S,17R)-9-Fluoro-11-Hydroxy-10,13,16-Trimethyl-3-Oxo-17-[1-Oxo-2-(1-Oxopentoxy)Ethyl]-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl] Ester; Valeric Acid [(8S,9R,10S,11S,13S,14S,16S,17R)-9-Fluoro-11-Hydroxy-3-Keto-10,13,16-Trimethyl-17-(2-Valeryloxyacetyl)-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl] Ester; [(8S,9R,10S,11S,13S,14S,16S,17R)-9-Fluoro-11-Hydroxy-10,13,16-Trimethyl-3-Oxo-17-(2-Pentanoyloxyethanoyl)-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl] Pentanoate
• 分子式: C₃₂H₄₅FO₇
• 分子量: 560.70
• CAS 登录号: 38196-44-0
• EINECS 登录号: 253-820-8
• 分子行输入简码 SMILES: [C@H]12[C@@]([C@](OC(=O)CCCC)([C@H](C1)C)C(=O)COC(=O)CCCC)(C[C@H](O)[C@@]3(F)[C@H]2CCC4=CC(=O)C=C[C@]34C)C
• 国际化学标识码 InChI: 1S/C32H45FO7/c1-6-8-10-27(37)39-19-26(36)32(40-28(38)11-9-7-2)20(3)16-24-23-13-12-21-17-22(34)14-15-29(21,4)31(23,33)25(35)18-30(24,32)5/h14-15,17,20,23-25,35H,6-13,16,18-19H2,1-5H3/t20-,23-,24-,25-,29-,30-,31-,32-/m0/s1
• 国际化学标识检索码 InChIKey: VPPBYLVCVQXCGD-LKKVRGJNSA-N

物理化学性质

• 密度: 1.198g/cm³ （计算值）
• 沸点: 642.292°C at 760 mmHg （计算值）
• 闪点: 342.246°C （计算值）