5-Cholestene-3 beta,12 alpha-Diol
[CAS# 566-46-1]

Identification

• Name: 5-Cholestene-3 beta,12 alpha-Diol
• Synonyms: (3S,8R,9S,10R,12S,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-3,12-Diol; 5-Cholestene-3Beta,12Alpha-Diol; 5-Cls-3,12-Dl
• Molecular Formula: C₂₇H₄₆O₂
• Molecular Weight: 402.66
• CAS Registry Number: 566-46-1
• 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](CCCC(C)C)C)C
• InChI: 1S/C27H46O2/c1-17(2)7-6-8-18(3)22-11-12-23-21-10-9-19-15-20(28)13-14-26(19,4)24(21)16-25(29)27(22,23)5/h9,17-18,20-25,28-29H,6-8,10-16H2,1-5H3/t18-,20+,21+,22-,23+,24+,25+,26+,27-/m1/s1
• InChIKey: DDKSQIWASYXGKZ-XWXSNNQWSA-N

Properties

• Density: 1.034g/cm³ (Cal.)
• Boiling point: 512.777°C at 760 mmHg (Cal.)
• Flash point: 213.362°C (Cal.)