4-[2-[(10R,11S,13S,17S)-11-羟基-3-氧代-10,13-二甲基-1,2,6,7,8,9,11,12,14,15,16,17-十二氢环戊烯并[a]菲-17-基]-2-氧代-乙氧基]-4-氧代-丁酸钠
[CAS# 18843-27-1]

基本信息

• 产品名称: 4-[2-[(10R,11S,13S,17S)-11-羟基-3-氧代-10,13-二甲基-1,2,6,7,8,9,11,12,14,15,16,17-十二氢环戊烯并[a]菲-17-基]-2-氧代-乙氧基]-4-氧代-丁酸钠
• 英文名: Sodium 4-[2-[(10R,11S,13S,17S)-11-hydroxy-3-keto-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-keto-ethoxy]-4-keto-butyrate
• 别名: Sodium 4-[2-[(10R,11S,13S,17S)-11-Hydroxy-10,13-Dimethyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethoxy]-4-Oxo-Butanoate; Sodium 4-[2-[(10R,11S,13S,17S)-11-Hydroxy-3-Keto-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethoxy]-4-Keto-Butyrate; 11-Beta,21-Dihydroxy-21-Sodium-Pregn-4-Ene-3,20-Dione, Hemisuccinate
• 分子式: C₂₅H₃₃NaO₇
• 分子量: 468.52
• CAS 登录号: 18843-27-1
• 分子行输入简码 SMILES: [C@]34(C(C2C([C@@]1(C(=CC(=O)CC1)CC2)C)[C@@H](O)C3)CC[C@@H]4C(=O)COC(=O)CCC([O-])=O)C.[Na+]
• 国际化学标识码 InChI: 1S/C25H34O7.Na/c1-24-10-9-15(26)11-14(24)3-4-16-17-5-6-18(25(17,2)12-19(27)23(16)24)20(28)13-32-22(31)8-7-21(29)30;/h11,16-19,23,27H,3-10,12-13H2,1-2H3,(H,29,30);/q;+1/p-1/t16?,17?,18-,19+,23?,24+,25+;/m1./s1
• 国际化学标识检索码 InChIKey: ZVGAMAIUOZXIOQ-BSCVRACISA-M

物理化学性质

• 沸点: 651.3°C at 760 mmHg （计算值）
• 闪点: 219.3°C （计算值）