3,7,23-Trihydroxycholan-24-Oic Acid
[CAS# 64937-93-5]

Identification

• Name: 3,7,23-Trihydroxycholan-24-Oic Acid
• Synonyms: Sodium (4R)-4-[(3R,5S,7R,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]-2-Hydroxy-Pentanoate; Sodium (4R)-4-[(3R,5S,7R,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]-2-Hydroxy-Valerate; 3Alpha,7Alpha,23-Trihydroxy-5Beta-Cholan-24-Oic Acid
• Molecular Formula: C₂₄H₃₉NaO₅
• Molecular Weight: 430.56
• CAS Registry Number: 64937-93-5
• 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](CC(O)C([O-])=O)C)C.[Na+]
• InChI: 1S/C24H40O5.Na/c1-13(10-20(27)22(28)29)16-4-5-17-21-18(7-9-24(16,17)3)23(2)8-6-15(25)11-14(23)12-19(21)26;/h13-21,25-27H,4-12H2,1-3H3,(H,28,29);/q;+1/p-1/t13-,14+,15-,16-,17?,18?,19-,20?,21?,23+,24-;/m1./s1
• InChIKey: QOVNEYBANRHCAO-CEWLWDRASA-M

Properties

• Boiling point: 580.3°C at 760 mmHg (Cal.)
• Flash point: 318.8°C (Cal.)