N-[(3a,5b)-3-Hydroxy-24-Oxocholan-24-Yl]- Glycine
[CAS# 474-74-8]

Identification

• Name: N-[(3a,5b)-3-Hydroxy-24-Oxocholan-24-Yl]- Glycine
• Synonyms: Sodium 2-[[(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]-1-Oxopentyl]Amino]Acetate; Sodium 2-[[(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]Pentanoyl]Amino]Ethanoate; Glycine, N-((3Alpha,5Beta)-3-Hydroxy-24-Oxocholan-24-Yl)-, Monosodium Salt
• Molecular Formula: C₂₆H₄₂NNaO₄
• Molecular Weight: 455.61
• CAS Registry Number: 474-74-8 (24404-83-9)
• SMILES: [C@]34(C(C1C([C@@]2([C@H](CC1)C[C@H](O)CC2)C)CC3)CC[C@@H]4[C@@H](CCC(=O)NCC([O-])=O)C)C.[Na+]
• InChI: 1S/C26H43NO4.Na/c1-16(4-9-23(29)27-15-24(30)31)20-7-8-21-19-6-5-17-14-18(28)10-12-25(17,2)22(19)11-13-26(20,21)3;/h16-22,28H,4-15H2,1-3H3,(H,27,29)(H,30,31);/q;+1/p-1/t16-,17-,18-,19?,20-,21?,22?,25+,26-;/m1./s1
• InChIKey: LQKBJAKZKFBLIB-NYTIRPLLSA-M

Properties

• Boiling point: 619.7°C at 760 mmHg (Cal.)
• Flash point: 328.6°C (Cal.)