98711-53-6 Purity
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The molecular formula of flumedroxone acetate is C24H31F3O4.
The molecular weight of flumedroxone acetate is 440.5 g/mol.
The IUPAC name of flumedroxone acetate is [(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-6-(trifluoromethyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate.
The synonyms of flumedroxone acetate are Demigran, 987-18-8, Demigrana, and Leomigran.
The InChIKey of flumedroxone acetate is MXZYUFNILISKBC-WXLIAARGSA-N.
The canonical SMILES of flumedroxone acetate is CC(=O)C1(CCC2C1(CCC3C2CC(C4=CC(=O)CCC34C)C(F)(F)F)C)OC(=O)C.
The XLogP3 value of flumedroxone acetate is 4.5.
Flumedroxone acetate has 7 hydrogen bond acceptor counts.
The formal charge of flumedroxone acetate is 0.
The topological polar surface area of flumedroxone acetate is 60.4 Å2.