3beta-Hydroxy-delta5-Cholenic Acid
[CAS# 5255-17-4]

Identification

• Classification: API >> Digestive system medication >> Biliary medicine
• Name: 3beta-Hydroxy-delta5-Cholenic Acid
• Synonyms: (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]Valeric Acid; 3Beta-Hydroxy-5-Cholenic Acid; 3Beta-Hydroxy-5-Cholenoic Acid
• Molecular Formula: C₂₄H₃₈O₃
• Molecular Weight: 374.56
• CAS Registry Number: 5255-17-4
• SMILES: [C@@]14(C)[C@H]([C@H]2[C@H](CC1)[C@]3(C)C(=CC2)C[C@H](CC3)O)CC[C@@H]4[C@@H](CCC(=O)O)C
• 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/h5,15,17-21,25H,4,6-14H2,1-3H3,(H,26,27)/t15-,17+,18+,19-,20+,21+,23+,24-/m1/s1
• InChIKey: HIAJCGFYHIANNA-QIZZZRFXSA-N

Properties

• Density: 1.113g/cm³ (Cal.)
• Melting point: 232°C (Expl.)
• Boiling point: 522.822°C at 760 mmHg (Cal.)
• Flash point: 284.073°C (Cal.)