(3a,5b)-3-(3-Carboxy-1-oxopropoxy)-Pregnan-20-one sodium salt
[CAS# 2766-62-3]

Identification

• Name: (3a,5b)-3-(3-Carboxy-1-oxopropoxy)-Pregnan-20-one sodium salt
• Synonyms: 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
• Molecular Formula: C₂₅H₃₇NaO₅
• Molecular Weight: 440.55
• CAS Registry Number: 2766-62-3
• 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+]
• 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
• InChIKey: AFVPZQPJVCUVBY-AQSOIRLBSA-M

Properties

• Boiling point: 549.7°C at 760 mmHg (Cal.)
• Flash point: 180°C (Cal.)