4-Nitroestrone 3-Methyl Ether
[CAS# 14846-62-9]

Identification

• Name: 4-Nitroestrone 3-Methyl Ether
• Synonyms: (8R,9S,13S,14S)-3-Methoxy-13-Methyl-4-Nitro-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-One; (8R,9S,13S,14S)-4-(Hydroxy-Oxidoamino)-3-Methoxy-13-Methyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-One; (8R,9S,13S,14S)-4-(Hydroxy-Oxido-Amino)-3-Methoxy-13-Methyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-One
• Molecular Formula: C₁₉H₂₃NO₄
• Molecular Weight: 329.40
• CAS Registry Number: 14846-62-9
• SMILES: [C@H]23[C@H]1[C@@](C(=O)CC1)(CC[C@@H]2C4=C(CC3)C(=C(OC)C=C4)[N+]([O-])=O)C
• InChI: 1S/C19H23NO4/c1-19-10-9-12-11-5-7-16(24-2)18(20(22)23)14(11)4-3-13(12)15(19)6-8-17(19)21/h5,7,12-13,15H,3-4,6,8-10H2,1-2H3/t12-,13-,15+,19+/m1/s1
• InChIKey: QDFCXLJPTBSDPF-BFDPJXHCSA-N

Properties

• Density: 1.222g/cm³ (Cal.)
• Boiling point: 487.576°C at 760 mmHg (Cal.)
• Flash point: 197.294°C (Cal.)