Cholesta-5,7,9-Trien-3beta-Ol
[CAS# 51982-45-7]

Identification

• Name: Cholesta-5,7,9-Trien-3beta-Ol
• Synonyms: (3S,10S,13R,14R,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,12,14,15,16,17-Octahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; Cholesta-5,7,9-Trien-3Beta-Ol; Cholestatrienol
• Molecular Formula: C₂₇H₄₂O
• Molecular Weight: 382.63
• CAS Registry Number: 51982-45-7
• SMILES: [C@]34(C2=CC[C@@]1([C@@H]([C@@H](CCCC(C)C)C)CC[C@H]1C2=CC=C3C[C@H](CC4)O)C)C
• InChI: 1S/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,14,18-19,21,23-24,28H,6-8,11-13,15-17H2,1-5H3/t19-,21+,23-,24+,26+,27-/m1/s1
• InChIKey: YQYYDLWKDGKMKI-BXAZICILSA-N

Properties

• Density: 1.016g/cm³ (Cal.)
• Boiling point: 513.31°C at 760 mmHg (Cal.)
• Flash point: 217.158°C (Cal.)