Cholestane-3beta,5alpha,6beta-Triol
[CAS# 1253-84-5]

Identification

• Name: Cholestane-3beta,5alpha,6beta-Triol
• Synonyms: (3S,5R,6R,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthrene-3,5,6-Triol; 5-Alpha,6-Beta-Dihydroxycholestanol; 5-Alpha-Cholestane-3-Beta,5,6-Beta-Triol (8Ci)
• Molecular Formula: C₂₇H₄₈O₃
• Molecular Weight: 420.67
• CAS Registry Number: 1253-84-5
• SMILES: [C@@]34(C)[C@@H]1[C@H]([C@H]2[C@@](CC1)(C)[C@H](CC2)[C@@H](CCCC(C)C)C)C[C@H]([C@@]3(O)C[C@H](CC4)O)O
• InChI: 1S/C27H48O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28-30H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24-,25-,26-,27+/m1/s1
• InChIKey: YMMFNKXZULYSOQ-RUXQDQFYSA-N

Properties

• Density: 1.065g/cm³ (Cal.)
• Boiling point: 515.721°C at 760 mmHg (Cal.)
• Flash point: 212.491°C (Cal.)