[(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] N-(4-Iodophenyl)Carbamate
[CAS# 124824-12-0]

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] N-(4-Iodophenyl)Carbamate
• Synonyms: N-(4-Iodophenyl)Carbamic 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; [(3S,8S,9S,10R,13S,14S,17S)-17-Ethanoyl-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; (3Beta)-3-((((4-Iodophenyl)Amino)Carbonyl)Oxy)Pregn-5-En-20-One
• Molecular Formula: C₂₈H₃₆INO₃
• Molecular Weight: 561.50
• CAS Registry Number: 124824-12-0
• 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)NC4=CC=C(I)C=C4)CC5)C)C
• InChI: 1S/C28H36INO3/c1-17(31)23-10-11-24-22-9-4-18-16-21(33-26(32)30-20-7-5-19(29)6-8-20)12-14-27(18,2)25(22)13-15-28(23,24)3/h4-8,21-25H,9-16H2,1-3H3,(H,30,32)/t21-,22-,23+,24-,25-,27-,28+/m0/s1
• InChIKey: NVKBMJWRJHYUAC-PUWKGJKWSA-N

Properties

• Density: 1.413g/cm³ (Cal.)
• Boiling point: 573.517°C at 760 mmHg (Cal.)
• Flash point: 300.652°C (Cal.)