3b-Acetyloxy-9-Hydroxy-5a-Cholest-7-En-6-One
[CAS# 863-40-1]

Identification

• Name: 3b-Acetyloxy-9-Hydroxy-5a-Cholest-7-En-6-One
• Synonyms: [17-(1,5-Dimethylhexyl)-9-Hydroxy-10,13-Dimethyl-6-Oxo-2,3,4,5,11,12,14,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Acetate; Acetic Acid [17-(1,5-Dimethylhexyl)-9-Hydroxy-10,13-Dimethyl-6-Oxo-2,3,4,5,11,12,14,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester; Acetic Acid [17-(1,5-Dimethylhexyl)-9-Hydroxy-6-Keto-10,13-Dimethyl-2,3,4,5,11,12,14,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester
• Molecular Formula: C₂₉H₄₆O₄
• Molecular Weight: 458.68
• CAS Registry Number: 863-40-1
• SMILES: C(C(C4C2(C(C1=CC(=O)C3C(C1(O)CC2)(CCC(OC(=O)C)C3)C)CC4)C)C)CCC(C)C
• InChI: 1S/C29H46O4/c1-18(2)8-7-9-19(3)22-10-11-23-24-17-26(31)25-16-21(33-20(4)30)12-13-28(25,6)29(24,32)15-14-27(22,23)5/h17-19,21-23,25,32H,7-16H2,1-6H3
• InChIKey: OCBFXDHZEHPMPM-UHFFFAOYSA-N

Properties

• Density: 1.084g/cm³ (Cal.)
• Boiling point: 555.926°C at 760 mmHg (Cal.)
• Flash point: 172.744°C (Cal.)