(6b)-6-Hydroperoxy-Cholest-4-en-3-one
[CAS# 2207-76-3]

Identification

• Name: (6b)-6-Hydroperoxy-Cholest-4-en-3-one
• Synonyms: (6R,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-6-Hydroperoxy-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-One; 6-Hydroperoxy-4-Cholesten-3-One; 6-Beta-Hydroperoxy-Delta(Sup 4)-Cholesten-3-One
• Molecular Formula: C₂₇H₄₄O₃
• Molecular Weight: 416.64
• CAS Registry Number: 2207-76-3
• SMILES: [C@H]24[C@H]1[C@@]([C@H](CC1)[C@@H](CCCC(C)C)C)(CC[C@@H]2[C@@]3(C(=CC(=O)CC3)[C@H](OO)C4)C)C
• InChI: 1S/C27H44O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(30-29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h15,17-18,20-23,25,29H,6-14,16H2,1-5H3/t18-,20+,21-,22+,23+,25-,26-,27-/m1/s1
• InChIKey: CVJNCIPPOLWWCO-ZAAZJSNSSA-N

Properties

• Density: 1.057g/cm³ (Cal.)
• Boiling point: 537.046°C at 760 mmHg (Cal.)
• Flash point: 170.734°C (Cal.)