5alpha-Cholestan-3beta,5alpha-Diol-6-One
[CAS# 13027-33-3]

Identification

• Name: 5alpha-Cholestan-3beta,5alpha-Diol-6-One
• Synonyms: (3S,5R,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-3,5-Dihydroxy-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-6-One; Yakkasterone; 3Beta,5Alpha-Dihydroxycholestan-6-One
• Molecular Formula: C₂₇H₄₆O₃
• Molecular Weight: 418.66
• CAS Registry Number: 13027-33-3
• SMILES: [C@@]24([C@@]([C@H]1CC[C@]3([C@H]([C@@H]1CC2=O)CC[C@@H]3[C@@H](CCCC(C)C)C)C)(CC[C@@H](C4)O)C)O
• InChI: 1S/C27H46O3/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/h17-23,28,30H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,25-,26-,27+/m1/s1
• InChIKey: SJZZRXMQSAXCFD-ZCBMJONGSA-N

Properties

• Density: 1.062g/cm³ (Cal.)
• Boiling point: 528.859°C at 760 mmHg (Cal.)
• Flash point: 287.719°C (Cal.)