3 beta-Hydroxychol-3-En-24-Oic Acid
[CAS# 69941-28-2]

Identification

• Name: 3 beta-Hydroxychol-3-En-24-Oic Acid
• Synonyms: (4R)-4-[(8R,9S,10S,13R,14S,17R)-3-Hydroxy-10,13-Dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Valeric Acid; 3Beta-Hydroxy-3-Cholenic Acid; 3Beta-Hydroxychol-3-En-24-Oic Acid
• Molecular Formula: C₂₄H₃₈O₃
• Molecular Weight: 374.56
• CAS Registry Number: 69941-28-2
• SMILES: [C@@H]23CCC1CC(=CC[C@@]1([C@H]2CC[C@]4([C@H]3CC[C@@H]4[C@@H](CCC(=O)O)C)C)C)O
• InChI: 1S/C24H38O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h10,15-16,18-21,25H,4-9,11-14H2,1-3H3,(H,26,27)/t15-,16?,18+,19-,20+,21+,23+,24-/m1/s1
• InChIKey: HULQGYPWEGNXPA-PBDHEXIJSA-N

Properties

• Density: 1.095g/cm³ (Cal.)
• Boiling point: 517.192°C at 760 mmHg (Cal.)
• Flash point: 280.671°C (Cal.)