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16.beta.-Fluoro-11.beta.-methoxy-3-[[(trifluoromethyl)sulfonyl]oxy]estra-1,3,5(10)-trien-17-one

View entire compound with spectra: 1 MS (GC)

16.beta.-Fluoro-11.beta.-methoxy-3-[[(trifluoromethyl)sulfonyl]oxy]estra-1,3,5(10)-trien-17-one
SpectraBase Compound ID JYMQ4JbWthf
InChI InChI=1S/C20H22F4O5S/c1-19-9-16(28-2)17-12-6-4-11(29-30(26,27)20(22,23)24)7-10(12)3-5-13(17)14(19)8-15(21)18(19)25/h4,6-7,13-17H,3,5,8-9H2,1-2H3/t13-,14-,15-,16-,17+,19-/m0/s1
InChIKey YWTZXJBVYXNJDP-RKYZWWOHSA-N
Mol Weight 450.44 g/mol
Molecular Formula C20H22F4O5S
Exact Mass 450.112408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8xXzqQ8IXlX
Name 16.beta.-Fluoro-11.beta.-methoxy-3-[[(trifluoromethyl)sulfonyl]oxy]estra-1,3,5(10)-trien-17-one
Alternate Name(s) (11beta,16beta)-16-fluoro-11-methoxy-17-oxoestra-1,3,5(10)-trien-3-yl trifluoromethanesulfonate Trifluoromethanesulfonic acid[(8S,9S,11S,13S,14S,16S)-16-fluoro-11-methoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]ester Trifluoromethanesulfonic acid[(8S,9S,11S,13S,14S,16S)-16-fluoro-17-keto-11-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]ester [(8S,9S,11S,13S,14S,16S)-16-fluoranyl-11-methoxy-13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]tris(fluoranyl)methanesulfonate [(8S,9S,11S,13S,14S,16S)-16-fluoro-11-methoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]trifluoromethanesulfonate Trifluoromethanesulfonic acid [(8S,9S,11S,13S,14S,16S)-16-fluoro-11-methoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester [(8S,9S,11S,13S,14S,16S)-16-fluoro-11-methoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] trifluoromethanesulfonate [(8S,9S,11S,13S,14S,16S)-16-fluoranyl-11-methoxy-13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] tris(fluoranyl)methanesulfonate
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Formula C20H22F4O5S
InChI InChI=1S/C20H22F4O5S/c1-19-9-16(28-2)17-12-6-4-11(29-30(26,27)20(22,23)24)7-10(12)3-5-13(17)14(19)8-15(21)18(19)25/h4,6-7,13-17H,3,5,8-9H2,1-2H3/t13-,14-,15-,16-,17+,19-/m0/s1
InChIKey YWTZXJBVYXNJDP-RKYZWWOHSA-N
Molecular Weight 450.445 g/mol
SMILES c1(ccc2c(c1)CC[C@]1([C@@]3(C[C@@](C([C@@]3(C)C[C@@]([C@]21[H])(OC)[H])=O)(F)[H])[H])[H])OS(=O)(=O)C(F)(F)F
SPLASH splash10-004i-0092700000-c8cf0c899766cec671f6
Source of Spectrum E1-36-1626-6
Wiley ID 1574662