3,7,12,23-Tetrahydroxycholan-24-Oic Acid
[CAS# 6879-45-4]

Identification

• Name: 3,7,12,23-Tetrahydroxycholan-24-Oic Acid
• Synonyms: (2R,4R)-2-Hydroxy-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-Trihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Valeric Acid; (23R)-3Alpha,7Alpha,12Alpha,23-Tetrahydroxy-5Beta-Cholan-24-Oic Acid; Lmst04010254
• Molecular Formula: C₂₄H₄₀O₆
• Molecular Weight: 424.58
• CAS Registry Number: 6879-45-4
• SMILES: [C@@H]4([C@@H](C[C@H](C(=O)O)O)C)[C@@]3([C@H]([C@@H]2[C@@H](C[C@@H]1C[C@@H](CC[C@@]1([C@H]2C[C@@H]3O)C)O)O)CC4)C
• InChI: 1S/C24H40O6/c1-12(8-19(27)22(29)30)15-4-5-16-21-17(11-20(28)24(15,16)3)23(2)7-6-14(25)9-13(23)10-18(21)26/h12-21,25-28H,4-11H2,1-3H3,(H,29,30)/t12-,13+,14-,15-,16+,17+,18-,19-,20+,21+,23+,24-/m1/s1
• InChIKey: UJYLRDMHTJWIQW-SWSYAYITSA-N

Properties

• Density: 1.239g/cm³ (Cal.)
• Boiling point: 617.612°C at 760 mmHg (Cal.)
• Flash point: 341.336°C (Cal.)