Glycodehydrocholic Acid
[CAS# 3415-45-0]

Identification

• Name: Glycodehydrocholic Acid
• Synonyms: 5-BETA-CHOLANIC ACID-3,7,12-TRIONE N-(CARBOXYMETHYL)-AMIDE; N-(3,7,12,24-Tetraoxo-5Β-Cholan-24-Yl)Glycine; GLYCODEHYDROCHOLIC ACID
• Molecular Formula: C₂₆H₃₇NO₆
• Molecular Weight: 459.58
• CAS Registry Number: 3415-45-0
• SMILES: O=C(NCC(=O)O)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)C(=O)C[C@H]1[C@H]2C(=O)C[C@H]2[C@]1(C)CCC(=O)C2)C
• InChI: 1S/C26H37NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-15,17-19,24H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,17-,18+,19+,24+,25+,