(8R,9S,13S,14S)-4-Bromo-3-Methoxy-13-Methyl-2-Nitro-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[a]Phenanthren-17-One
[CAS# 126291-42-7]

Identification

• Name: (8R,9S,13S,14S)-4-Bromo-3-Methoxy-13-Methyl-2-Nitro-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[a]Phenanthren-17-One
• Synonyms: 4-Bromo-3-Methoxy-2-Nitro-1,3,5(10)-Estratriene-17-One; Brmeneo; Estra-1,3,5(10)-Trien-17-One, 4-Bromo-3-Methoxy-2-Nitro-
• Molecular Formula: C₁₉H₂₂BrNO₄
• Molecular Weight: 408.29
• CAS Registry Number: 126291-42-7
• SMILES: [C@H]24[C@H]1[C@@](C(=O)CC1)(CC[C@@H]2C3=CC(=C(OC)C(=C3CC4)Br)[N+]([O-])=O)C
• InChI: 1S/C19H22BrNO4/c1-19-8-7-10-11(14(19)5-6-16(19)22)3-4-12-13(10)9-15(21(23)24)18(25-2)17(12)20/h9-11,14H,3-8H2,1-2H3/t10-,11+,14-,19-/m0/s1
• InChIKey: IWZBTBVKRYVUAZ-VNXHFNNKSA-N

Properties

• Density: 1.429g/cm³ (Cal.)
• Boiling point: 508.939°C at 760 mmHg (Cal.)
• Flash point: 261.597°C (Cal.)