7-Oxocholest-5-En-3-Yl Benzoate
[CAS# 6997-41-7]

Identification

• Name: 7-Oxocholest-5-En-3-Yl Benzoate
• Synonyms: 3Î’-(BENZOYLOXY)CHOLEST-5-EN-7-ONE; 7-Oxo-5-cholesten-3β-yl benzoate; 7-Oxocholest-5-en-3-yl benzoate
• Molecular Formula: C₃₄H₄₈O₃
• Molecular Weight: 504.74
• CAS Registry Number: 6997-41-7
• SMILES: O=C2\C=C5/C(C3CCC1(C(C(C)CCCC(C)C)CCC1C23)C)(CCC(OC(=O)c4ccccc4)C5)C
• InChI: 1S/C34H48O3/c1-22(2)10-9-11-23(3)27-14-15-28-31-29(17-19-34(27,28)5)33(4)18-16-26(20-25(33)21-30(31)35)37-32(36)24-12-7-6-8-13-24/h6-8,12-13,21-23,26-29,31H,9-11,14-20H2,1-5H3
• InChIKey: CSZVQZAYIQQOMB-UHFFFAOYSA-N

Properties

• Density: 1.078g/cm³ (Cal.)
• Boiling point: 596.285°C at 760 mmHg (Cal.)
• Flash point: 247.417°C (Cal.)