3-Benzoyloxy-6-Chlorocholest-7-Ene
[CAS# 113274-91-2]

Identification

• Name: 3-Benzoyloxy-6-Chlorocholest-7-Ene
• Synonyms: [(3S,5S,6S,9R,10R,13R,14R,17R)-6-Chloro-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Benzoate; Benzoic Acid [(3S,5S,6S,9R,10R,13R,14R,17R)-6-Chloro-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester; 3-Benzoyloxy-6-Chlorocholest-7-Ene
• Molecular Formula: C₃₄H₄₉ClO₂
• Molecular Weight: 525.21
• CAS Registry Number: 113274-91-2
• SMILES: [C@H]12[C@@]([C@H](CC1)[C@@H](CCCC(C)C)C)(CC[C@H]3C2=C[C@H](Cl)[C@@H]5[C@@]3(CC[C@H](OC(=O)C4=CC=CC=C4)C5)C)C
• InChI: 1S/C34H49ClO2/c1-22(2)10-9-11-23(3)27-14-15-28-26-21-31(35)30-20-25(37-32(36)24-12-7-6-8-13-24)16-18-34(30,5)29(26)17-19-33(27,28)4/h6-8,12-13,21-23,25,27-31H,9-11,14-20H2,1-5H3/t23-,25+,27-,28+,29+,30-,31+,33-,34-/m1/s1
• InChIKey: UKWQLUBQPDACSU-BCQVWVLBSA-N

Properties

• Density: 1.086g/cm³ (Cal.)
• Boiling point: 590.298°C at 760 mmHg (Cal.)
• Flash point: 306.004°C (Cal.)