(3alpha,5beta,7alpha,12alpha)-3,7,12,19-Tetrahydroxycholan-24-Oic Acid
[CAS# 171524-64-4]

Identification

• Name: (3alpha,5beta,7alpha,12alpha)-3,7,12,19-Tetrahydroxycholan-24-Oic Acid
• Synonyms: 3α,7α,12α,19-Tetrahydroxy-5β-cholan-24-oic Acid; LMST04010126
• Molecular Formula: C₂₄H₄₀O₆
• Molecular Weight: 424.57
• CAS Registry Number: 171524-64-4
• SMILES: O=C(O)CC[C@@H](C)[C@H]4CC[C@H]3[C@H]1[C@@H]([C@@]2([C@H](C[C@H]1O)C[C@H](O)CC2)CO)C[C@H](O)[C@@]34C
• InChI: 1S/C24H40O6/c1-13(3-6-21(29)30)16-4-5-17-22-18(11-20(28)23(16,17)2)24(12-25)8-7-15(26)9-14(24)10-19(22)27/h13-20,22,25-28H,3-12H2,1-2H3,(H,29,30)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23-,24-/m1/s1
• InChIKey: RFSKRKUKTCLIAV-OWXKUJNZSA-N

Properties

• Density: 1.236g/cm³ (Cal.)
• Boiling point: 626.912°C at 760 mmHg (Cal.)
• Flash point: 346.954°C (Cal.)
• Refractive index: 1.571 (Cal.)