(3b,5a)-3-Hydroxy-Cholan-24-oic acid
[CAS# 2276-93-9]

Identification

• Name: (3b,5a)-3-Hydroxy-Cholan-24-oic acid
• Synonyms: (4R)-4-[(3S,5S,8R,9S,10S,13R,14S,17R)-3-Hydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Valeric Acid; 3Beta-Hydroxy-5Alpha-Cholan-24-Oic Acid; Lmst04010006
• Molecular Formula: C₂₄H₄₀O₃
• Molecular Weight: 376.58
• CAS Registry Number: 2276-93-9
• SMILES: [C@]34([C@H]([C@H]1[C@@H]([C@@]2([C@@H](CC1)C[C@H](CC2)O)C)CC3)CC[C@@H]4[C@@H](CCC(=O)O)C)C
• InChI: 1S/C24H40O3/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/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16+,17+,18+,19-,20+,21+,23+,24-/m1/s1
• InChIKey: SMEROWZSTRWXGI-XBESLWPFSA-N

Properties

• Density: 1.073g/cm³ (Cal.)
• Boiling point: 510.992°C at 760 mmHg (Cal.)
• Flash point: 276.926°C (Cal.)