3,12-Dihydroxy-5-Cholenoic Acid
[CAS# 63266-92-2]

Identification

• Name: 3,12-Dihydroxy-5-Cholenoic Acid
• Synonyms: (4R)-4-[(3S,8R,9S,10R,12S,13R,14S,17R)-3,12-Dihydroxy-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Valeric Acid; 3Beta,12Alpha-Dihydroxychol-5-En-24-Oic Acid; Lmst04010219
• Molecular Formula: C₂₄H₃₈O₄
• Molecular Weight: 390.56
• CAS Registry Number: 63266-92-2
• SMILES: [C@H]34[C@H]1[C@@H]([C@@]2(C(=CC1)C[C@@H](O)CC2)C)C[C@H](O)[C@@]3([C@H](CC4)[C@@H](CCC(=O)O)C)C
• InChI: 1S/C24H38O4/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/h5,14,16-21,25-26H,4,6-13H2,1-3H3,(H,27,28)/t14-,16+,17+,18-,19+,20+,21+,23+,24-/m1/s1
• InChIKey: BSNCZSKCISVTHY-DNMQWNDWSA-N

Properties

• Density: 1.168g/cm³ (Cal.)
• Boiling point: 559.739°C at 760 mmHg (Cal.)
• Flash point: 306.374°C (Cal.)