Cholesterol Hydroperoxide
[CAS# 55529-60-7]

Identification

• Name: Cholesterol Hydroperoxide
• Synonyms: (3S,5R,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-5-Hydroperoxy-10,13-Dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-Ol; 5-Hydroperoxycholesterol; Cholest-6-En-3-Ol, 5-Hydroperoxy-, (3Beta,5Beta)-
• Molecular Formula: C₂₇H₄₆O₃
• Molecular Weight: 418.66
• CAS Registry Number: 55529-60-7
• SMILES: [C@]34([C@H]([C@H]1[C@@H]([C@@]2([C@](C=C1)(C[C@H](CC2)O)OO)C)CC3)CC[C@@H]4[C@@H](CCCC(C)C)C)C
• InChI: 1S/C27H46O3/c1-18(2)7-6-8-19(3)22-9-10-23-21-12-16-27(30-29)17-20(28)11-15-26(27,5)24(21)13-14-25(22,23)4/h12,16,18-24,28-29H,6-11,13-15,17H2,1-5H3/t19-,20+,21+,22-,23+,24+,25-,26-,27+/m1/s1
• InChIKey: CUIXDAUTEMBARD-JLLCDCETSA-N

Properties

• Density: 1.059g/cm³ (Cal.)
• Boiling point: 518.984°C at 760 mmHg (Cal.)
• Flash point: 267.672°C (Cal.)