[(10R,13R,17R)-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Yl] 3-Iodo-2,6-Dimethylbenzoate
[CAS# 124784-15-2]

Identification

• Name: [(10R,13R,17R)-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Yl] 3-Iodo-2,6-Dimethylbenzoate
• Synonyms: [(10R,13R,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] 3-Iodo-2,6-Dimethyl-Benzoate; 3-Iodo-2,6-Dimethylbenzoic Acid [(10R,13R,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester; 3-Iodo-2,6-Dimethyl-Benzoic Acid [(10R,13R,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester
• Molecular Formula: C₃₆H₅₃IO₂
• Molecular Weight: 644.72
• CAS Registry Number: 124784-15-2
• SMILES: [C@]15([C@H](CCC1C2C([C@@]4(C(=CC2)CC(OC(=O)C3=C(C=CC(=C3C)I)C)CC4)C)CC5)[C@@H](CCCC(C)C)C)C
• InChI: 1S/C36H53IO2/c1-22(2)9-8-10-23(3)29-14-15-30-28-13-12-26-21-27(17-19-35(26,6)31(28)18-20-36(29,30)7)39-34(38)33-24(4)11-16-32(37)25(33)5/h11-12,16,22-23,27-31H,8-10,13-15,17-21H2,1-7H3/t23-,27?,28?,29-,30?,31?,35+,36-/m1/s1
• InChIKey: RJPYENJVQWBZAL-IPXOLVQISA-N

Properties

• Density: 1.235g/cm³ (Cal.)
• Boiling point: 626.651°C at 760 mmHg (Cal.)
• Flash point: 332.787°C (Cal.)