(8R,9S,13S,14S)-3,4-Dimethoxy-13-Methyl-1-Nitro-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[a]Phenanthren-17-One
[CAS# 126291-41-6]

Identification

• Name: (8R,9S,13S,14S)-3,4-Dimethoxy-13-Methyl-1-Nitro-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[a]Phenanthren-17-One
• Synonyms: 3,4-Dimethoxy-1-Nitro-1,3,5(10)-Estratrien-17-One; Dimeneo; Estra-1,3,5(10)-Trien-17-One, 3,4-Dimethoxy-1-Nitro-
• Molecular Formula: C₂₀H₂₅NO₅
• Molecular Weight: 359.42
• CAS Registry Number: 126291-41-6
• SMILES: [C@H]24[C@H]1[C@@](C(=O)CC1)(CC[C@@H]2C3=C([N+]([O-])=O)C=C(OC)C(=C3CC4)OC)C
• InChI: 1S/C20H25NO5/c1-20-9-8-12-11(14(20)6-7-17(20)22)4-5-13-18(12)15(21(23)24)10-16(25-2)19(13)26-3/h10-12,14H,4-9H2,1-3H3/t11-,12+,14+,20+/m1/s1
• InChIKey: PYKQKRZEODFWAP-NXXNRAFRSA-N

Properties

• Density: 1.224g/cm³ (Cal.)
• Boiling point: 514.6°C at 760 mmHg (Cal.)
• Flash point: 203.713°C (Cal.)