(8S,9R,10S,11S,13S,14S,16R,17S)-9-氟-11,16,17-三羟基-17-(2-羟基乙酰基)-10,13-二甲基-1,2,6,7,8,11,12,14,15,16-十氢环戊烯并[a]菲-3-酮
[CAS# 337-02-0]

基本信息

• 产品名称: (8S,9R,10S,11S,13S,14S,16R,17S)-9-氟-11,16,17-三羟基-17-(2-羟基乙酰基)-10,13-二甲基-1,2,6,7,8,11,12,14,15,16-十氢环戊烯并[a]菲-3-酮
• 英文名: (8S,9R,10S,11S,13S,14S,16R,17S)-9-Fluoro-11,16,17-Trihydroxy-17-(2-Hydroxyacetyl)-10,13-Dimethyl-1,2,6,7,8,11,12,14,15,16-Decahydrocyclopenta[a]Phenanthren-3-One
• 别名: (8S,9R,10S,11S,13S,14S,16R,17S)-9-Fluoro-11,16,17-Trihydroxy-17-(2-Hydroxy-1-Oxoethyl)-10,13-Dimethyl-1,2,6,7,8,11,12,14,15,16-Decahydrocyclopenta[A]Phenanthren-3-One; (8S,9R,10S,11S,13S,14S,16R,17S)-9-Fluoro-17-Glycoloyl-11,16,17-Trihydroxy-10,13-Dimethyl-1,2,6,7,8,11,12,14,15,16-Decahydrocyclopenta[A]Phenanthren-3-One; (8S,9R,10S,11S,13S,14S,16R,17S)-9-Fluoro-11,16,17-Trihydroxy-17-(2-Hydroxyethanoyl)-10,13-Dimethyl-1,2,6,7,8,11,12,14,15,16-Decahydrocyclopenta[A]Phenanthren-3-One
• 分子式: C₂₁H₂₉FO₆
• 分子量: 396.45
• CAS 登录号: 337-02-0
• EINECS 登录号: 206-411-3
• 分子行输入简码 SMILES: [C@@]1([C@H](O)C[C@@H]2[C@]1(C)C[C@H](O)[C@@]3(F)[C@H]2CCC4=CC(=O)CC[C@]34C)(O)C(CO)=O
• 国际化学标识码 InChI: 1S/C21H29FO6/c1-18-6-5-12(24)7-11(18)3-4-13-14-8-15(25)21(28,17(27)10-23)19(14,2)9-16(26)20(13,18)22/h7,13-16,23,25-26,28H,3-6,8-10H2,1-2H3/t13-,14-,15+,16-,18-,19-,20-,21-/m0/s1
• 国际化学标识检索码 InChIKey: SXQQMCLQCSKJNC-OBYCQNJPSA-N

物理化学性质

• 密度: 1.396g/cm³ （计算值）
• 沸点: 585.214°C at 760 mmHg （计算值）
• 闪点: 307.726°C （计算值）