N-[(3a,5b,7b)-3,7-Dihydroxy-24-oxocholan-24-yl]glycine
[CAS# 2273-95-2]

Identification

• Name: N-[(3a,5b,7b)-3,7-Dihydroxy-24-oxocholan-24-yl]glycine
• Synonyms: 2-[[(4R)-4-[(3R,5S,7S,10S,13R,17R)-3,7-Dihydroxy-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]Acetic Acid; 2-[[(4R)-4-[(3R,5S,7S,10S,13R,17R)-3,7-Dihydroxy-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]Ethanoic Acid; Glycine Ursodeoxycholic Acid
• Molecular Formula: C₂₆H₄₃NO₅
• Molecular Weight: 449.63
• CAS Registry Number: 2273-95-2
• SMILES: [C@]34(C(C1C([C@@]2([C@H](C[C@@H]1O)C[C@H](O)CC2)C)CC3)CC[C@@H]4[C@@H](CCC(=O)NCC(=O)O)C)C
• InChI: 1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16+,17-,18-,19?,20?,21+,24?,25+,26-/m1/s1
• InChIKey: GHCZAUBVMUEKKP-NHIHLBCISA-N

Properties

• Density: 1.162g/cm³ (Cal.)
• Boiling point: 655.572°C at 760 mmHg (Cal.)
• Flash point: 350.277°C (Cal.)