(5beta,12beta)-12-Hydroxycholan-24-oic acid
[CAS# 15173-23-6]

Identification

• Name: (5beta,12beta)-12-Hydroxycholan-24-oic acid
• Synonyms: 12β-Hydroxy-5β-cholan-24-oic Acid; LMST04010016
• Molecular Formula: C₂₄H₄₀O₃
• Molecular Weight: 376.57
• CAS Registry Number: 15173-23-6
• SMILES: O=C(O)CC[C@@H](C)[C@H]4CC[C@H]3[C@H]2[C@@H]([C@@]1([C@@H](CCCC1)CC2)C)C[C@@H](O)[C@@]34C
• InChI: 1S/C24H40O3/c1-15(7-12-22(26)27)18-10-11-19-17-9-8-16-6-4-5-13-23(16,2)20(17)14-21(25)24(18,19)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16+,17+,18-,19+,20+,21-,23+,24-/m1/s1
• InChIKey: OBUOWZOYJNAMCZ-ORVKXXEISA-N

Properties

• Density: 1.073g/cm³ (Cal.)
• Boiling point: 511.109°C at 760 mmHg (Cal.)
• Flash point: 276.996°C (Cal.)
• Refractive index: 1.528 (Cal.)