(3alpha,5alpha,12alpha)-3,12-Dihydroxycholan-24-Oic Acid
[CAS# 1912-55-6]

Identification

• Name: (3alpha,5alpha,12alpha)-3,12-Dihydroxycholan-24-Oic Acid
• Synonyms: 3-Oxo-4,6-choladienoic acid; 3α,12α-Dihydroxy-5α-cholan-24-oic Acid; 3α,12β-Dihydroxy-5α-cholan-24-oic Acid
• Molecular Formula: C₂₄H₄₀O₄
• Molecular Weight: 392.57
• CAS Registry Number: 1912-55-6
• SMILES: O=C(O)CC[C@@H](C)[C@H]4CC[C@H]3[C@H]1[C@@H]([C@@]2([C@@H](CC1)C[C@H](O)CC2)C)C[C@H](O)[C@@]34C
• InChI: 1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1
• InChIKey: KXGVEGMKQFWNSR-WFTUMUMQSA-N

Properties

• Density: 1.129g/cm³ (Cal.)
• Boiling point: 547.148°C at 760 mmHg (Cal.)
• Flash point: 298.768°C (Cal.)
• Refractive index: 1.543 (Cal.)