(3Z,8R,9S,10R,13S,14S,17S)-3-(2,4-Dinitrophenoxy)Imino-10,13-Dimethyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthren-17-Ol
[CAS# 33514-82-8]

Identification

• Name: (3Z,8R,9S,10R,13S,14S,17S)-3-(2,4-Dinitrophenoxy)Imino-10,13-Dimethyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthren-17-Ol
• Synonyms: 17-Beta-Hydroxyandrosta-1,4-Dien-3-One O-(2,4-Dinitrophenyl)Oxime; Androsta-1,4-Dien-3-One, 17-Beta-Hydroxy-, O-(2,4-Dinitrophenyl)Oxime; Brn 2198020
• Molecular Formula: C₂₅H₂₉N₃O₆
• Molecular Weight: 467.52
• CAS Registry Number: 33514-82-8
• SMILES: [C@H]34[C@@H]([C@@]2(C(=C\C(=N/OC1=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C1)C=C2)CC3)C)CC[C@]5([C@H]4CC[C@@H]5O)C
• InChI: 1S/C25H29N3O6/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/h4,7,9,11,13-14,18-20,23,29H,3,5-6,8,10,12H2,1-2H3/b26-16-/t18-,19-,20-,23-,24-,25-/m0/s1
• InChIKey: VRTUEBLGAAPNOW-JNXQQKPESA-N

Properties

• Density: 1.46g/cm³ (Cal.)
• Boiling point: 618.611°C at 760 mmHg (Cal.)
• Flash point: 327.924°C (Cal.)