[(3Z,5S,8R,9S,10S,13S,14S,17S)-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 33510-68-8]

Identification

• Name: [(3Z,5S,8R,9S,10S,13S,14S,17S)-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 [(3Z,5S,8R,9S,10S,13S,14S,17S)-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; [(3Z,5S,8R,9S,10S,13S,14S,17S)-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; 17-Beta-Hydroxy-5-Alpha-Androstan-3-One O-(P-Nitrophenyl)Oxime Acetate (Ester)
• Molecular Formula: C₂₇H₃₆N₂O₅
• Molecular Weight: 468.59
• CAS Registry Number: 33510-68-8
• SMILES: [C@H]14[C@@H]([C@@]3([C@@H](CC1)C\C(=N/OC2=CC=C([N+]([O-])=O)C=C2)CC3)C)CC[C@]5([C@H]4CC[C@@H]5OC(=O)C)C
• InChI: 1S/C27H36N2O5/c1-17(30)33-25-11-10-23-22-9-4-18-16-19(28-34-21-7-5-20(6-8-21)29(31)32)12-14-26(18,2)24(22)13-15-27(23,25)3/h5-8,18,22-25H,4,9-16H2,1-3H3/b28-19-/t18-,22-,23-,24-,25-,26-,27-/m0/s1
• InChIKey: AKENRXAWRMQCCH-SQPUPEILSA-N

Properties

• Density: 1.329g/cm³ (Cal.)
• Boiling point: 567.777°C at 760 mmHg (Cal.)
• Flash point: 297.181°C (Cal.)