[(3S,8S,9S,10R,13R,14S,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] N-(4-Iodophenyl)Carbamate
[CAS# 124784-17-4]

Identification

• Name: [(3S,8S,9S,10R,13R,14S,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] N-(4-Iodophenyl)Carbamate
• Synonyms: [(3S,8S,9S,10R,13R,14S,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] N-(4-Iodophenyl)Carbamate; N-(4-Iodophenyl)Carbamic Acid [(3S,8S,9S,10R,13R,14S,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; 4-Ipcce
• Molecular Formula: C₃₄H₅₀INO₂
• Molecular Weight: 631.68
• CAS Registry Number: 124784-17-4
• SMILES: [C@H]45[C@H]1[C@@H]([C@@]3(C(=CC1)C[C@@H](OC(=O)NC2=CC=C(I)C=C2)CC3)C)CC[C@@]4([C@H](CC5)[C@@H](CCCC(C)C)C)C
• InChI: 1S/C34H50INO2/c1-22(2)7-6-8-23(3)29-15-16-30-28-14-9-24-21-27(38-32(37)36-26-12-10-25(35)11-13-26)17-19-33(24,4)31(28)18-20-34(29,30)5/h9-13,22-23,27-31H,6-8,14-21H2,1-5H3,(H,36,37)/t23-,27+,28+,29-,30+,31+,33+,34-/m1/s1
• InChIKey: JQCFZSAQTGDTED-AESKLMAPSA-N

Properties

• Density: 1.268g/cm³ (Cal.)
• Boiling point: 603.926°C at 760 mmHg (Cal.)
• Flash point: 319.043°C (Cal.)