[(3E,5S,8R,9S,10S,13S,14S,17S)-2-Bromo-10,13-Dimethyl-3-(4-Nitrophenoxy)Imino-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-17-Yl] Acetate
[CAS# 33510-44-0]

Identification

• Name: [(3E,5S,8R,9S,10S,13S,14S,17S)-2-Bromo-10,13-Dimethyl-3-(4-Nitrophenoxy)Imino-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-17-Yl] Acetate
• Synonyms: Acetic Acid [(3E,5S,8R,9S,10S,13S,14S,17S)-2-Bromo-10,13-Dimethyl-3-(4-Nitrophenoxy)Imino-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl] Ester; [(3E,5S,8R,9S,10S,13S,14S,17S)-2-Bromo-10,13-Dimethyl-3-(4-Nitrophenoxy)Imino-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl] Ethanoate; 2-Bromo-17-Beta-Hydroxy-5-Alpha-Androstan-3-One O-(P-Nitrophenyl)Oxime Acetate (Ester)
• Molecular Formula: C₂₇H₃₅BrN₂O₅
• Molecular Weight: 547.49
• CAS Registry Number: 33510-44-0
• SMILES: [C@H]14[C@@H]([C@@]3([C@@H](CC1)C\C(=N/OC2=CC=C([N+]([O-])=O)C=C2)C(Br)C3)C)CC[C@]5([C@H]4CC[C@@H]5OC(=O)C)C
• InChI: 1S/C27H35BrN2O5/c1-16(31)34-25-11-10-21-20-9-4-17-14-24(29-35-19-7-5-18(6-8-19)30(32)33)23(28)15-27(17,3)22(20)12-13-26(21,25)2/h5-8,17,20-23,25H,4,9-15H2,1-3H3/b29-24+/t17-,20-,21-,22-,23?,25-,26-,27-/m0/s1
• InChIKey: RZOPFFIQLURKLI-QLXKODFJSA-N

Properties

• Density: 1.499g/cm³ (Cal.)
• Boiling point: 596.684°C at 760 mmHg (Cal.)
• Flash point: 314.663°C (Cal.)