1,3,12-Trihydroxycholan-24-Oic Acid
[CAS# 63266-91-1]

Identification

• Name: 1,3,12-Trihydroxycholan-24-Oic Acid
• Molecular Formula: C₂₄H₄₀O₅
• Molecular Weight: 408.57
• CAS Registry Number: 63266-91-1
• SMILES: OC(=O)CC[C@@H](C)[C@H]4CC[C@@H]3[C@]4(C)C(O)C[C@H]2[C@H]3CCC1CC(O)CC(O)[C@@]12C
• InChI: 1S/C24H40O5/c1-13(4-9-22(28)29)17-7-8-18-16-6-5-14-10-15(25)11-20(26)23(14,2)19(16)12-21(27)24(17,18)3/h13-21,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14?,15?,16+,17-,18+,19+,20?,21?,23+,24-/m1/s1
• InChIKey: DAKYVYUAVGJDRK-JZBKOBKOSA-N

Properties

• Density: 1.185g/cm³ (Cal.)
• Boiling point: 583.876°C at 760 mmHg (Cal.)
• Flash point: 320.956°C (Cal.)