17beta-Hydroxy-5alpha-Androstan-3-One O-(4-Nitro-m-Tolyl)Oxime
[CAS# 64584-61-8]

Identification

• Name: 17beta-Hydroxy-5alpha-Androstan-3-One O-(4-Nitro-m-Tolyl)Oxime
• Synonyms: (3Z,5S,8R,9S,10S,13S,14S,17S)-10,13-Dimethyl-3-(3-Methyl-4-Nitro-Phenoxy)Imino-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Ol; 17-Beta-Hydroxy-5-Alpha-Androstan-3-One O-(4-Nitro-M-Tolyl)Oxime; 5-Alpha-Androstan-3-One, 17-Beta-Hydroxy-, O-(4-Nitro-M-Tolyl)Oxime
• Molecular Formula: C₂₆H₃₆N₂O₄
• Molecular Weight: 440.58
• CAS Registry Number: 64584-61-8
• SMILES: [C@H]14[C@@H]([C@@]3([C@@H](CC1)C\C(=N/OC2=CC=C([N+]([O-])=O)C(=C2)C)CC3)C)CC[C@]5([C@H]4CC[C@@H]5O)C
• InChI: 1S/C26H36N2O4/c1-16-14-19(5-8-23(16)28(30)31)32-27-18-10-12-25(2)17(15-18)4-6-20-21-7-9-24(29)26(21,3)13-11-22(20)25/h5,8,14,17,20-22,24,29H,4,6-7,9-13,15H2,1-3H3/b27-18-/t17-,20-,21-,22-,24-,25-,26-/m0/s1
• InChIKey: QRWHDEQCFZSNTH-ZWBBWFCOSA-N

Properties

• Density: 1.334g/cm³ (Cal.)
• Boiling point: 571.802°C at 760 mmHg (Cal.)
• Flash point: 299.616°C (Cal.)