Cholestanetriol
[CAS# 72879-16-4]

Identification

• Name: Cholestanetriol
• Synonyms: (8R,9S,10S,13R,14S,17S)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthrene-2,3,3-Triol; Cholestanetriol
• Molecular Formula: C₂₇H₄₈O₃
• Molecular Weight: 420.67
• CAS Registry Number: 72879-16-4
• SMILES: [C@@H]23CCC1CC(C(C[C@@]1([C@H]2CC[C@]4([C@H]3CC[C@H]4[C@@H](CCCC(C)C)C)C)C)O)(O)O
• InChI: 1S/C27H48O3/c1-17(2)7-6-8-18(3)21-11-12-22-20-10-9-19-15-27(29,30)24(28)16-26(19,5)23(20)13-14-25(21,22)4/h17-24,28-30H,6-16H2,1-5H3/t18-,19?,20+,21+,22+,23+,24?,25-,26+/m1/s1
• InChIKey: AJNWPAVTXLOHTH-RRYOLQTISA-N

Properties

• Density: 1.056g/cm³ (Cal.)
• Boiling point: 502.233°C at 760 mmHg (Cal.)
• Flash point: 205.387°C (Cal.)