3-Hydroxycholest-8-En-7-One
[CAS# 69140-15-4]

Identification

• Name: 3-Hydroxycholest-8-En-7-One
• Synonyms: (3S,5R,10S,13R,14R)-17-[(1R)-1,5-Dimethylhexyl]-3-Hydroxy-10,13-Dimethyl-1,2,3,4,5,6,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-7-One; 3-Hceo; 3-Hydroxy-5Alpha-Cholest-8-En-7-One
• Molecular Formula: C₂₇H₄₄O₂
• Molecular Weight: 400.64
• CAS Registry Number: 69140-15-4
• SMILES: [C@H]12[C@@](C(CC1)[C@@H](CCCC(C)C)C)(CCC3=C2C(=O)C[C@@H]4[C@@]3(CC[C@H](O)C4)C)C
• InChI: 1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h17-22,28H,6-16H2,1-5H3/t18-,19-,20+,21?,22+,26+,27-/m1/s1
• InChIKey: ZKZOFLZBQASYNQ-MXCCHVFPSA-N

Properties

• Density: 1.034g/cm³ (Cal.)
• Boiling point: 516.055°C at 760 mmHg (Cal.)
• Flash point: 218.23°C (Cal.)