5alpha-Cholestan-24beta-Ethyl-3beta-One
[CAS# 5060-25-3]

Identification

• Name: 5alpha-Cholestan-24beta-Ethyl-3beta-One
• Synonyms: (5S,8R,9S,10S,13R,14S,17R)-17-[(1R,4R)-4-Ethyl-1,5-Dimethyl-Hexyl]-10,13-Dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-One; (5S,8R,9S,10S,13R,14S,17R)-17-[(1R,4R)-4-Ethyl-1,5-Dimethylhexyl]-10,13-Dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-One; (5S,8R,9S,10S,13R,14S,17R)-17-[(2R,5R)-5-Ethyl-6-Methyl-Heptan-2-Yl]-10,13-Dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-One
• Molecular Formula: C₂₉H₅₀O
• Molecular Weight: 414.71
• CAS Registry Number: 5060-25-3
• SMILES: [C@]24([C@H]([C@@H]1CC[C@@H]3[C@@]([C@H]1CC2)(CCC(=O)C3)C)CC[C@@H]4[C@@H](CC[C@H](C(C)C)CC)C)C
• InChI: 1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-22,24-27H,7-18H2,1-6H3/t20-,21-,22+,24+,25-,26+,27+,28+,29-/m1/s1
• InChIKey: BVVFRHKBULZQCQ-KWMXJCMHSA-N

Properties

• Density: 0.945g/cm³ (Cal.)
• Boiling point: 469.849°C at 760 mmHg (Cal.)
• Flash point: 229.463°C (Cal.)