3-Hydroxy-5-Cholenoylglycine
[CAS# 69776-17-6]

Identification

• Name: 3-Hydroxy-5-Cholenoylglycine
• Synonyms: 2-[[(4R)-4-[(3S,8S,9S,10R,13R,14S,17R)-3-Hydroxy-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-1-Oxopentyl]Amino]Acetic Acid; 2-[[(4R)-4-[(3S,8S,9S,10R,13R,14S,17R)-3-Hydroxy-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Pentanoyl]Amino]Ethanoic Acid; 3Beta-Hydroxy-5-Cholenoyl Glycine
• Molecular Formula: C₂₆H₄₁NO₄
• Molecular Weight: 431.61
• CAS Registry Number: 69776-17-6
• SMILES: [C@H]34[C@H]1[C@@H]([C@@]2(C(=CC1)C[C@@H](O)CC2)C)CC[C@@]3([C@H](CC4)[C@@H](CCC(=O)NCC(=O)O)C)C
• InChI: 1S/C26H41NO4/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/h5,16,18-22,28H,4,6-15H2,1-3H3,(H,27,29)(H,30,31)/t16-,18+,19+,20-,21+,22+,25+,26-/m1/s1
• InChIKey: YVPDWGJLXBNGPX-ZHRHZKROSA-N

Properties

• Density: 1.157g/cm³ (Cal.)
• Boiling point: 632.643°C at 760 mmHg (Cal.)
• Flash point: 336.41°C (Cal.)