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

View entire compound with spectra: 1 MS (GC)

16.beta.-Hydroxy-3-[[(trifluoromethyl)sulfonyl]oxy]estra-1,3,5(10)-trien-17-one
SpectraBase Compound ID I24pfkZiNg5
InChI InChI=1S/C19H21F3O5S/c1-18-7-6-13-12-5-3-11(27-28(25,26)19(20,21)22)8-10(12)2-4-14(13)15(18)9-16(23)17(18)24/h3,5,8,13-16,23H,2,4,6-7,9H2,1H3/t13-,14-,15+,16+,18+/m1/s1
InChIKey MUXVEXJTKIHHKH-LFRCEIEQSA-N
Mol Weight 418.43 g/mol
Molecular Formula C19H21F3O5S
Exact Mass 418.106179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KwDcF9pmZcA
Name 16.beta.-Hydroxy-3-[[(trifluoromethyl)sulfonyl]oxy]estra-1,3,5(10)-trien-17-one
Alternate Name(s) (16beta)-16-hydroxy-17-oxoestra-1,3,5(10)-trien-3-yl trifluoromethanesulfonate 16.beta.-hydroxy-3-[[(trifluoromethyl)sulonyl]oxy]estra-1,3,5(10)-trien-17-one Trifluoromethanesulfonic acid[(8R,9S,13S,14S,16S)-16-hydroxy-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-hydroxy-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)-13-methyl-16-oxidanyl-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-hydroxy-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-hydroxy-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-hydroxy-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)-13-methyl-16-oxidanyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] tris(fluoranyl)methanesulfonate
CAS Registry Number 92817-07-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21F3O5S
InChI InChI=1S/C19H21F3O5S/c1-18-7-6-13-12-5-3-11(27-28(25,26)19(20,21)22)8-10(12)2-4-14(13)15(18)9-16(23)17(18)24/h3,5,8,13-16,23H,2,4,6-7,9H2,1H3/t13-,14-,15+,16+,18+/m1/s1
InChIKey MUXVEXJTKIHHKH-LFRCEIEQSA-N
Molecular Weight 418.427 g/mol
SMILES O[C@]1(C[C@]2([C@]3([C@@](c4ccc(cc4CC3)OS(C(F)(F)F)(=O)=O)(CC[C@@]2(C1=O)C)[H])[H])[H])[H]
SPLASH splash10-0292-0089600000-b6a9c33884a996958155
Source of Spectrum J-49-4904-0
Wiley ID 1377043