Sodiumlithocholate
[CAS# 13284-86-1]

Identification

• Name: Sodiumlithocholate
• Synonyms: Sodium (4R)-4-[(3R,5R,10S,13R,17R)-3-Hydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Valerate; Sodium Lithocholate; 5-Beta-Cholan-24-Oic Acid, 3-Alpha-Hydroxy-, Monosodium Salt
• Molecular Formula: C₂₄H₃₉NaO₃
• Molecular Weight: 398.56
• CAS Registry Number: 13284-86-1
• SMILES: [C@]34(C2C(C1[C@@]([C@H](CC1)[C@@H](CCC([O-])=O)C)(CC2)C)CC[C@@H]3C[C@H](O)CC4)C.[Na+]
• InChI: 1S/C24H40O3.Na/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3;/h15-21,25H,4-14H2,1-3H3,(H,26,27);/q;+1/p-1/t15-,16-,17-,18?,19-,20?,21?,23+,24-;/m1./s1
• InChIKey: AECTYFQKWPXOSR-ZGVXYPMNSA-M