(3b)-3-Hydroxy-Pregn-5-en-20-one,(2,4-dinitrophenyl)hydrazone
[CAS# 2122-98-7]

Identification

• Name: (3b)-3-Hydroxy-Pregn-5-en-20-one,(2,4-dinitrophenyl)hydrazone
• Synonyms: 17-[N-[(2,4-Dinitrophenyl)Amino]-C-Methyl-Carbonimidoyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; 17-[1-[(2,4-Dinitrophenyl)Hydrazono]Ethyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; 17-[(1E)-1-[(2,4-Dinitrophenyl)Hydrazono]Ethyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol
• Molecular Formula: C₂₇H₃₆N₄O₅
• Molecular Weight: 496.61
• CAS Registry Number: 2122-98-7
• SMILES: C1=CC(=CC(=C1N\N=C(C5C4(C(C2C(C3(C(=CC2)CC(O)CC3)C)CC4)CC5)C)/C)[N+]([O-])=O)[N+]([O-])=O
• InChI: 1S/C27H36N4O5/c1-16(28-29-24-9-5-18(30(33)34)15-25(24)31(35)36)21-7-8-22-20-6-4-17-14-19(32)10-12-26(17,2)23(20)11-13-27(21,22)3/h4-5,9,15,19-23,29,32H,6-8,10-14H2,1-3H3/b28-16+
• InChIKey: FLQLPGKGGIZMCO-LQKURTRISA-N

Properties

• Density: 1.42g/cm³ (Cal.)
• Boiling point: 632.295°C at 760 mmHg (Cal.)
• Flash point: 336.2°C (Cal.)