3,6,7,12-Tetrahydroxycholestanoic Acid
[CAS# 95889-31-9]

Identification

• Name: 3,6,7,12-Tetrahydroxycholestanoic Acid
• Synonyms: (6R)-2-Methyl-6-[(8R,9S,10R,13R,14S,17R)-3,6,7,12-Tetrahydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Enanthic Acid; 3,6,7,12-Tetrahydroxycholestanoic Acid; 3Alpha,6Alpha,7Alpha,12Alpha-Tetrahydroxy
• Molecular Formula: C₂₇H₄₆O₆
• Molecular Weight: 466.66
• CAS Registry Number: 95889-31-9
• SMILES: [C@@H]23C(C(C1CC(CC[C@@]1([C@H]2CC([C@]4([C@H]3CC[C@@H]4[C@@H](CCCC(C(=O)O)C)C)C)O)C)O)O)O
• InChI: 1S/C27H46O6/c1-14(6-5-7-15(2)25(32)33)17-8-9-18-22-19(13-21(29)27(17,18)4)26(3)11-10-16(28)12-20(26)23(30)24(22)31/h14-24,28-31H,5-13H2,1-4H3,(H,32,33)/t14-,15?,16?,17-,18+,19+,20?,21?,22+,23?,24?,26-,27-/m1/s1
• InChIKey: RVAJJSHFHVWNHR-WMXFRAFFSA-N

Properties

• Density: 1.191g/cm³ (Cal.)
• Boiling point: 625.192°C at 760 mmHg (Cal.)
• Flash point: 345.915°C (Cal.)