(3a,5b)-3-(3-羧基-1-氧代丙氧基)-孕甾烷-20-酮钠盐
[CAS# 2766-62-3]

基本信息

• 产品名称: (3a,5b)-3-(3-羧基-1-氧代丙氧基)-孕甾烷-20-酮钠盐
• 英文名: (3a,5b)-3-(3-Carboxy-1-oxopropoxy)-Pregnan-20-one sodium salt
• 别名: Sodium 4-[[(3R,5R,10S,13S,17S)-17-Acetyl-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl]Oxy]-4-Oxo-Butanoate; Sodium 4-[[(3R,5R,10S,13S,17S)-17-Acetyl-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl]Oxy]-4-Keto-Butyrate; Sodium 4-[[(3R,5R,10S,13S,17S)-17-Ethanoyl-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl]Oxy]-4-Oxo-Butanoate
• 分子式: C₂₅H₃₇NaO₅
• 分子量: 440.55
• CAS 登录号: 2766-62-3
• 分子行输入简码 SMILES: [C@]34(C2C(C1[C@@]([C@H](CC1)C(=O)C)(CC2)C)CC[C@@H]3C[C@H](OC(=O)CCC([O-])=O)CC4)C.[Na+]
• 国际化学标识码 InChI: 1S/C25H38O5.Na/c1-15(26)19-6-7-20-18-5-4-16-14-17(30-23(29)9-8-22(27)28)10-12-24(16,2)21(18)11-13-25(19,20)3;/h16-21H,4-14H2,1-3H3,(H,27,28);/q;+1/p-1/t16-,17-,18?,19-,20?,21?,24+,25-;/m1./s1
• 国际化学标识检索码 InChIKey: AFVPZQPJVCUVBY-AQSOIRLBSA-M

物理化学性质

• 沸点: 549.7°C at 760 mmHg （计算值）
• 闪点: 180°C （计算值）