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

View entire compound with spectra: 1 MS (GC)

16.alpha.-Fluoro-3-[[(trifluoromethyl)sulonyl]oxy]estra-1,3,5(10)-trien-17-one
SpectraBase Compound ID 7WqwD2bgDPG
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-QFXBJFAPSA-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 82HbJSSevXd
Name 16.alpha.-Fluoro-3-[[(trifluoromethyl)sulonyl]oxy]estra-1,3,5(10)-trien-17-one
CAS Registry Number 92817-09-9
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-QFXBJFAPSA-N
Molecular Weight 420.419 g/mol
SMILES C(S(Oc1cc2CC[C@]3([C@@]4(C[C@@](F)(C([C@]4(CC[C@@]3(c2cc1)[H])C)=O)[H])[H])[H])(=O)=O)(F)(F)F
SPLASH splash10-03di-0093300000-b92b5eb80e54f0c2e810
Source of Spectrum J-49-4904-0
Synonyms (16alpha)-16-fluoro-17-oxoestra-1,3,5(10)-trien-3-yl trifluoromethanesulfonate Trifluoromethanesulfonic acid[(8R,9S,13S,14S,16R)-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,16R)-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,16R)-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,16R)-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,16R)-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,16R)-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,16R)-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 1377810