[(8S,9S,11S,13S,14S,16S)-11-ethyl-16-fluoranyl-13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [(8S,9S,11S,13S,14S,16S)-11-ethyl-16-fluoranyl-13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] tris(fluoranyl)methanesulfonate Openeye Name: [(8S,9S,11S,13S,14S,16S)-11-ethyl-16-fluoranyl-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [(8S,9S,11S,13S,14S,16S)-11-ethyl-16-fluoranyl-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(8S,9S,11S,13S,14S,16S)-11-ethyl-16-fluoranyl-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [(8S,9S,11S,13S,14S,16S)-11-ethyl-16-fluoranyl-17-keto-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester Formula: C21H24F4O4S MolecularWeight: 447.474007

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC2(C(CC(C2=O)F)C3C1C4=C(CC3)C=C(C=C4)OS(=O)(=O)C(F)(F)F)C

Isomeric SMILES

CC[C@H]1C[C@]2([C@@H](C[C@@H](C2=O)[18F])[C@H]3[C@H]1C4=C(CC3)C=C(C=C4)OS(=O)(=O)C(F)(F)F)C

InChI

InChI=1S/C21H24F4O4S/c1-3-11-10-20(2)16(9-17(22)19(20)26)15-6-4-12-8-13(5-7-14(12)18(11)15)29-30(27,28)21(23,24)25/h5,7-8,11,15-18H,3-4,6,9-10H2,1-2H3/t11-,15-,16-,17-,18+,20-/m0/s1/i22-1