(5beta,7alpha,12beta)-7,12-Dihydroxycholan-24-oic acid
[CAS# 84413-82-1]

Identification

• Name: (5beta,7alpha,12beta)-7,12-Dihydroxycholan-24-oic acid
• Synonyms: 7a,12b-dihydroxy-5b-Cholan-24-oic acid; 7α,12β-Dihydroxy-5β-cholan-24-oic Acid
• Molecular Formula: C₂₄H₄₀O₄
• Molecular Weight: 392.57
• CAS Registry Number: 84413-82-1
• SMILES: O=C(O)CC[C@@H](C)[C@H]4CC[C@H]3[C@H]2[C@@H]([C@@]1([C@@H](CCCC1)C[C@H]2O)C)C[C@@H](O)[C@@]34C
• InChI: 1S/C24H40O4/c1-14(7-10-21(27)28)16-8-9-17-22-18(13-20(26)24(16,17)3)23(2)11-5-4-6-15(23)12-19(22)25/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17+,18+,19-,20-,22+,23+,24-/m1/s1
• InChIKey: ZHCAAZIHTDCFJX-CIKBIKKZSA-N

Properties

• Density: 1.129g/cm³ (Cal.)
• Boiling point: 547.148°C at 760 mmHg (Cal.)
• Flash point: 298.768°C (Cal.)