Allocholesterol
[CAS# 517-10-2]

Identification

• Name: Allocholesterol
• Synonyms: 17-(1,5-Dimethylhexyl)-10,13-Dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; Cholest-4-En-3.Alpha.-Ol; Cholest-4-En-3-Ol
• Molecular Formula: C₂₇H₄₆O
• Molecular Weight: 386.66
• CAS Registry Number: 517-10-2
• SMILES: C(C(C4C3(C(C2C(C1(C(=CC(O)CC1)CC2)C)CC3)CC4)C)C)CCC(C)C
• InChI: 1S/C27H46O/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/h17-19,21-25,28H,6-16H2,1-5H3
• InChIKey: UIMGHSAOLFTOBF-UHFFFAOYSA-N

Properties

• Density: 0.988g/cm³ (Cal.)
• Boiling point: 481.917°C at 760 mmHg (Cal.)
• Flash point: 209.657°C (Cal.)