Cholestane-3,7,25-Triol
[CAS# 61088-54-8]

Identification

• Name: Cholestane-3,7,25-Triol
• Synonyms: (3R,5R,7R,8R,9S,10S,13R,14S,17R)-17-[(1R)-5-Hydroxy-1,5-Dimethyl-Hexyl]-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthrene-3,7-Diol; (3R,5R,7R,8R,9S,10S,13R,14S,17R)-17-[(1R)-5-Hydroxy-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthrene-3,7-Diol; (3R,5R,7R,8R,9S,10S,13R,14S,17R)-17-[(2R)-6-Hydroxy-6-Methyl-Heptan-2-Yl]-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthrene-3,7-Diol
• Molecular Formula: C₂₇H₄₈O₃
• Molecular Weight: 420.67
• CAS Registry Number: 61088-54-8
• SMILES: [C@@H]4([C@@H](CCCC(C)(C)O)C)[C@@]3([C@H]([C@@H]2[C@@H](C[C@H]1C[C@@H](CC[C@@]1([C@H]2CC3)C)O)O)CC4)C
• InChI: 1S/C27H48O3/c1-17(7-6-12-25(2,3)30)20-8-9-21-24-22(11-14-27(20,21)5)26(4)13-10-19(28)15-18(26)16-23(24)29/h17-24,28-30H,6-16H2,1-5H3/t17-,18-,19-,20-,21+,22+,23-,24+,26+,27-/m1/s1
• InChIKey: UROPIWALBBMYRP-CEIFOQQWSA-N

Properties

• Density: 1.051g/cm³ (Cal.)
• Boiling point: 535.79°C at 760 mmHg (Cal.)
• Flash point: 222.948°C (Cal.)