(3E,17S)-3-(2,4-Dinitrophenoxy)Imino-13-Methyl-2,6,7,8,9,10,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-17-Ol
[CAS# 33514-81-7]

Identification

• Name: (3E,17S)-3-(2,4-Dinitrophenoxy)Imino-13-Methyl-2,6,7,8,9,10,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-17-Ol
• Synonyms: 17-Beta-Hydroxyestr-4-En-3-One O-(2,4-Dinitrophenyl)Oxime; Brn 2196694; Estr-4-En-3-One, 17-Beta-Hydroxy-, O-(2,4-Dinitrophenyl)Oxime
• Molecular Formula: C₂₄H₂₉N₃O₆
• Molecular Weight: 455.51
• CAS Registry Number: 33514-81-7
• SMILES: [C@@H]5(O)C4(C(C3C(C2C(=CC(=N/OC1=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C1)/CC2)CC3)CC4)CC5)C
• InChI: 1S/C24H29N3O6/c1-24-11-10-18-17-6-3-15(12-14(17)2-5-19(18)20(24)7-9-23(24)28)25-33-22-8-4-16(26(29)30)13-21(22)27(31)32/h4,8,12-13,17-20,23,28H,2-3,5-7,9-11H2,1H3/b25-15+/t17?,18?,19?,20?,23-,24?/m0/s1
• InChIKey: LDZMVFLCCDRXFH-FUAIBTBHSA-N

Properties

• Density: 1.52g/cm³ (Cal.)
• Boiling point: 619.013°C at 760 mmHg (Cal.)
• Flash point: 328.168°C (Cal.)