(3B,22E)-Cholesta-5,22-Dien-3-Ol
[CAS# 34347-28-9]

Identification

• Name: (3B,22E)-Cholesta-5,22-Dien-3-Ol
• Synonyms: (3S,8S,9S,10R,13R,14S)-17-[(E,1R)-1,5-Dimethylhex-2-Enyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; 22-Dehydrocholesterol; 5,22-Cholestadien-3Beta-Ol
• Molecular Formula: C₂₇H₄₄O
• Molecular Weight: 384.64
• CAS Registry Number: 34347-28-9
• SMILES: [C@H]23[C@H]1[C@@](C(CC1)[C@@H](\C=C\CC(C)C)C)(CC[C@@H]2[C@@]4(C(=CC3)C[C@@H](O)CC4)C)C
• InChI: 1S/C27H44O/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/h6,8-9,18-19,21-25,28H,7,10-17H2,1-5H3/b8-6+/t19-,21+,22+,23?,24+,25+,26+,27-/m1/s1
• InChIKey: UPGTYLFCVNHBTN-XMLQVSDQSA-N

Properties

• Density: 1g/cm³ (Cal.)
• Boiling point: 479.884°C at 760 mmHg (Cal.)
• Flash point: 208.3°C (Cal.)