[(13S,17S)-13-methyl-3-oxidanylidene-2,6,7,8,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl] 2,2,3,3,4,4,4-heptakis(fluoranyl)butanoate

Systemtic Name: [(13S,17S)-13-methyl-3-oxidanylidene-2,6,7,8,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl] 2,2,3,3,4,4,4-heptakis(fluoranyl)butanoate Openeye Name: [(13S,17S)-13-methyl-3-oxo-2,6,7,8,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl] 2,2,3,3,4,4,4-heptafluorobutanoate CAS Name: 2,2,3,3,4,4,4-heptafluorobutanoic acid [(13S,17S)-13-methyl-3-oxo-2,6,7,8,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(13S,17S)-13-methyl-3-oxo-2,6,7,8,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl] 2,2,3,3,4,4,4-heptafluorobutanoate Traditional Name: 2,2,3,3,4,4,4-heptafluorobutyric acid [(13S,17S)-3-keto-13-methyl-2,6,7,8,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl] ester Formula: C22H21F7O3 MolecularWeight: 466.389162

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Descriptors Computed from Structure

Canonical SMILES:

CC12C=CC3=C4CCC(=O)C=C4CCC3C1CCC2OC(=O)C(C(C(F)(F)F)(F)F)(F)F

Isomeric SMILES

C[C@]12C=CC3=C4CCC(=O)C=C4CCC3C1CC[C@@H]2OC(=O)C(C(C(F)(F)F)(F)F)(F)F

InChI

InChI=1S/C22H21F7O3/c1-19-9-8-14-13-5-3-12(30)10-11(13)2-4-15(14)16(19)6-7-17(19)32-18(31)20(23,24)21(25,26)22(27,28)29/h8-10,15-17H,2-7H2,1H3/t15?,16?,17-,19-/m0/s1