2alpha-Bromo-17beta-Hydroxy-5alpha-Androstan-3-One O-(4-Nitrophenyl)Oxime
[CAS# 51354-34-8]

Identification

• Name: 2alpha-Bromo-17beta-Hydroxy-5alpha-Androstan-3-One O-(4-Nitrophenyl)Oxime
• Synonyms: 2-Alpha-Bromo-17-Beta-Hydroxy-5-Alpha-Androstan-3-One O-(P-Nitrophenyl)Oxime; 5-Alpha-Androstan-3-One, 2-Alpha-Bromo-17-Beta-Hydroxy-, O-(P-Nitrophenyl)Oxime; Brn 2229336
• Molecular Formula: C₂₅H₃₃BrN₂O₄
• Molecular Weight: 505.45
• CAS Registry Number: 51354-34-8
• SMILES: [C@H]14[C@@H]([C@@]3([C@@H](CC1)CC(=N/OC2=CC=C([N+]([O-])=O)C=C2)\[C@H](Br)C3)C)CC[C@]5([C@H]4CC[C@@H]5O)C
• InChI: 1S/C25H33BrN2O4/c1-24-12-11-20-18(19(24)9-10-23(24)29)8-3-15-13-22(21(26)14-25(15,20)2)27-32-17-6-4-16(5-7-17)28(30)31/h4-7,15,18-21,23,29H,3,8-14H2,1-2H3/b27-22+/t15-,18-,19-,20-,21+,23-,24-,25-/m0/s1
• InChIKey: PCPWXBOVEMGXRD-BWYVWVFTSA-N

Properties

• Density: 1.543g/cm³ (Cal.)
• Boiling point: 591.143°C at 760 mmHg (Cal.)
• Flash point: 311.312°C (Cal.)