(3alpha,5alpha)-3-Hydroxycholan-24-oic acid
[CAS# 2276-94-0]

Identification

• Name: (3alpha,5alpha)-3-Hydroxycholan-24-oic acid
• Synonyms: 2-Hydroxyestradiol-3-methylether; 3α-Hydroxy-5α-cholan-24-oic Acid
• Molecular Formula: C₂₄H₄₀O₃
• Molecular Weight: 376.57
• CAS Registry Number: 2276-94-0
• SMILES: O=C(O)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]4[C@H]2CC[C@H]3C[C@H](O)CC[C@@]34C)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-NWFSOSCSSA-N

Properties

• Density: 1.073g/cm³ (Cal.)
• Boiling point: 510.992°C at 760 mmHg (Cal.)
• Flash point: 276.926°C (Cal.)
• Refractive index: 1.528 (Cal.)