[(3S,9S,10R,13R,14R,17R)-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-2,3,4,9,11,12,14,15,16,17-Decahydro-1H-Cyclopenta[a]Phenanthren-3-Yl] Benzoate
[CAS# 1182-06-5]

Identification

• Name: [(3S,9S,10R,13R,14R,17R)-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-2,3,4,9,11,12,14,15,16,17-Decahydro-1H-Cyclopenta[a]Phenanthren-3-Yl] Benzoate
• Synonyms: [(3S,9S,10R,13R,14R,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,9,11,12,14,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Benzoate; Benzoic Acid [(3S,9S,10R,13R,14R,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,9,11,12,14,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester; 3Beta-Benzoyloxycholesta-5,7-Diene
• Molecular Formula: C₃₄H₄₈O₂
• Molecular Weight: 488.75
• CAS Registry Number: 1182-06-5
• EINECS: 214-653-6
• SMILES: [C@H]12[C@@]([C@H](CC1)[C@@H](CCCC(C)C)C)(CC[C@H]3C2=CC=C5[C@@]3(CC[C@H](OC(=O)C4=CC=CC=C4)C5)C)C
• InChI: 1S/C34H48O2/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-26-22-27(36-32(35)25-12-7-6-8-13-25)18-20-33(26,4)31(28)19-21-34(29,30)5/h6-8,12-15,23-24,27,29-31H,9-11,16-22H2,1-5H3/t24-,27+,29-,30+,31+,33+,34-/m1/s1
• InChIKey: IHOQNBAZWVTKFK-BVBBTSNESA-N

Properties

• Density: 1.053g/cm³ (Cal.)
• Boiling point: 575.553°C at 760 mmHg (Cal.)
• Flash point: 257.6°C (Cal.)