7alpha,12alpha-Dihydroxy-5beta-cholan-24-oic Acid
[CAS# 566-17-6]

Identification

• Name: 7alpha,12alpha-Dihydroxy-5beta-cholan-24-oic Acid
• Synonyms: (4R)-4-[(5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-Dihydroxy-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; 7Alpha,12Alpha-Dihydroxy-5Beta-Cholan-24-Oic Acid; Lmst04010049
• Molecular Formula: C₂₄H₄₀O₄
• Molecular Weight: 392.58
• CAS Registry Number: 566-17-6
• SMILES: [C@@H]12CCCC[C@@]1([C@@H]4[C@@H]([C@@H](C2)O)[C@@H]3CC[C@H]([C@@H](CCC(=O)O)C)[C@@]3(C)[C@H](C4)O)C
• 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-QLEQUTGBSA-N

Properties

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