(3Z,8R,9S,10R,13S,14S,17S)-3-(2,4-Dinitrophenoxy)Imino-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthren-17-Ol
[CAS# 33514-83-9]

Identification

• Name: (3Z,8R,9S,10R,13S,14S,17S)-3-(2,4-Dinitrophenoxy)Imino-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthren-17-Ol
• Synonyms: 17-Beta-Hydroxyandrost-4-En-3-One O-(2,4-Dinitrophenyl)Oxime; Androst-4-En-3-One, 17-Beta-Hydroxy-, O-(2,4-Dinitrophenyl)Oxime; Brn 2197662
• Molecular Formula: C₂₅H₃₁N₃O₆
• Molecular Weight: 469.54
• CAS Registry Number: 33514-83-9
• SMILES: [C@H]34[C@@H]([C@@]2(C(=CC(=N/OC1=CC=C([N+]([O-])=O)C=C1[N+]([O-])=O)\CC2)CC3)C)CC[C@]5([C@H]4CC[C@@H]5O)C
• InChI: 1S/C25H31N3O6/c1-24-11-9-16(26-34-22-7-4-17(27(30)31)14-21(22)28(32)33)13-15(24)3-5-18-19-6-8-23(29)25(19,2)12-10-20(18)24/h4,7,13-14,18-20,23,29H,3,5-6,8-12H2,1-2H3/b26-16-/t18-,19-,20-,23-,24-,25-/m0/s1
• InChIKey: QQKWGPOQHNHOBD-JNXQQKPESA-N

Properties

• Density: 1.466g/cm³ (Cal.)
• Boiling point: 615.512°C at 760 mmHg (Cal.)
• Flash point: 326.05°C (Cal.)