(3b)-Cholest-5-en-3-yl Hydroperoxide
[CAS# 2058-59-5]

Identification

• Name: (3b)-Cholest-5-en-3-yl Hydroperoxide
• Synonyms: (3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-3-Hydroperoxy-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene; Ce-Ooh; Cholesteryl Ester Hydroperoxide
• Molecular Formula: C₂₇H₄₆O₂
• Molecular Weight: 402.66
• CAS Registry Number: 2058-59-5
• SMILES: [C@H]23[C@H]1[C@@]([C@H](CC1)[C@@H](CCCC(C)C)C)(CC[C@@H]2[C@@]4(C(=CC3)C[C@@H](OO)CC4)C)C
• InChI: 1S/C27H46O2/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(29-28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
• InChIKey: JMMMHJWHJMBHOK-DPAQBDIFSA-N

Properties

• Density: 1.013g/cm³ (Cal.)
• Boiling point: 500.585°C at 760 mmHg (Cal.)
• Flash point: 256.545°C (Cal.)