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

View entire compound with spectra: 1 MS (GC)

16.beta.-Fluoro-3-[[(trifluoromethyl)sulfonyl]oxy]estra-1,3,5(10)-trien-17-one
SpectraBase Compound ID HB7EBnng4cz
InChI InChI=1S/C19H20F4O4S/c1-18-7-6-13-12-5-3-11(27-28(25,26)19(21,22)23)8-10(12)2-4-14(13)15(18)9-16(20)17(18)24/h3,5,8,13-16H,2,4,6-7,9H2,1H3/t13-,14-,15+,16+,18+/m1/s1
InChIKey MZLUIOPUJTUEGV-LFRCEIEQSA-N
Mol Weight 420.42 g/mol
Molecular Formula C19H20F4O4S
Exact Mass 420.101843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LU9chxgih1S
Name 16.beta.-Fluoro-3-[[(trifluoromethyl)sulfonyl]oxy]estra-1,3,5(10)-trien-17-one
CAS Registry Number 92817-03-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20F4O4S
InChI InChI=1S/C19H20F4O4S/c1-18-7-6-13-12-5-3-11(27-28(25,26)19(21,22)23)8-10(12)2-4-14(13)15(18)9-16(20)17(18)24/h3,5,8,13-16H,2,4,6-7,9H2,1H3/t13-,14-,15+,16+,18+/m1/s1
InChIKey MZLUIOPUJTUEGV-LFRCEIEQSA-N
Molecular Weight 420.419 g/mol
SMILES c1(ccc2c(c1)CC[C@]1([C@@]3(C[C@@](C([C@@]3(C)CC[C@]21[H])=O)(F)[H])[H])[H])OS(=O)(=O)C(F)(F)F
SPLASH splash10-03di-0094300000-f27d600be4d6d2263165
Source of Spectrum E1-36-1626-6
Synonyms (16beta)-16-fluoro-17-oxoestra-1,3,5(10)-trien-3-yl trifluoromethanesulfonate Trifluoromethanesulfonic acid[(8R,9S,13S,14S,16S)-16-fluoro-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]ester Trifluoromethanesulfonic acid[(8R,9S,13S,14S,16S)-16-fluoro-17-keto-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]ester [(8R,9S,13S,14S,16S)-16-fluoranyl-13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]tris(fluoranyl)methanesulfonate [(8R,9S,13S,14S,16S)-16-fluoro-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]trifluoromethanesulfonate Trifluoromethanesulfonic acid [(8R,9S,13S,14S,16S)-16-fluoro-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester [(8R,9S,13S,14S,16S)-16-fluoro-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] trifluoromethanesulfonate [(8R,9S,13S,14S,16S)-16-fluoranyl-13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] tris(fluoranyl)methanesulfonate
Wiley ID 1574660