[(3S,8S,9S,10R,13S,14S,17S)-17-Acetyl-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-Dimethylbenzoate
[CAS# 124784-16-3]

Identification

• Name: [(3S,8S,9S,10R,13S,14S,17S)-17-Acetyl-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-Dimethylbenzoate
• Synonyms: [(3S,8S,9S,10R,13S,14S,17S)-17-Acetyl-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 [(3S,8S,9S,10R,13S,14S,17S)-17-Acetyl-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 [(3S,8S,9S,10R,13S,14S,17S)-17-Acetyl-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: C₃₀H₃₉IO₃
• Molecular Weight: 574.54
• CAS Registry Number: 124784-16-3
• SMILES: [C@H]23[C@H]1[C@@]([C@H](CC1)C(=O)C)(CC[C@@H]2[C@@]5(C(=CC3)C[C@@H](OC(=O)C4=C(C=CC(=C4C)I)C)CC5)C)C
• InChI: 1S/C30H39IO3/c1-17-6-11-26(31)18(2)27(17)28(33)34-21-12-14-29(4)20(16-21)7-8-22-24-10-9-23(19(3)32)30(24,5)15-13-25(22)29/h6-7,11,21-25H,8-10,12-16H2,1-5H3/t21-,22-,23+,24-,25-,29-,30+/m0/s1
• InChIKey: MIIBLUAAEAEFJK-KWIQMPNJSA-N

Properties

• Density: 1.364g/cm³ (Cal.)
• Boiling point: 597.891°C at 760 mmHg (Cal.)
• Flash point: 315.393°C (Cal.)