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17-Acetoxy-3-[[(trifluoromethyl)sulonyl]oxy]estra-1,3,5(10),16-tetraene

View entire compound with spectra: 1 MS (GC)

17-Acetoxy-3-[[(trifluoromethyl)sulonyl]oxy]estra-1,3,5(10),16-tetraene
SpectraBase Compound ID 7Wvaa98yBKk
InChI InChI=1S/C21H23F3O5S/c1-12(25)28-19-8-7-18-17-5-3-13-11-14(29-30(26,27)21(22,23)24)4-6-15(13)16(17)9-10-20(18,19)2/h4,6,8,11,16-18H,3,5,7,9-10H2,1-2H3/t16-,17-,18+,20+/m1/s1
InChIKey QZAUKEKFPPWYLV-XSYGEPLQSA-N
Mol Weight 444.47 g/mol
Molecular Formula C21H23F3O5S
Exact Mass 444.121829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7phqVSyAR09
Name 17-Acetoxy-3-[[(trifluoromethyl)sulonyl]oxy]estra-1,3,5(10),16-tetraene
CAS Registry Number 92817-05-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23F3O5S
InChI InChI=1S/C21H23F3O5S/c1-12(25)28-19-8-7-18-17-5-3-13-11-14(29-30(26,27)21(22,23)24)4-6-15(13)16(17)9-10-20(18,19)2/h4,6,8,11,16-18H,3,5,7,9-10H2,1-2H3/t16-,17-,18+,20+/m1/s1
InChIKey QZAUKEKFPPWYLV-XSYGEPLQSA-N
Molecular Weight 444.465 g/mol
SMILES C(S(Oc1cc2CC[C@]3([C@@]4(CC=C([C@]4(CC[C@@]3(c2cc1)[H])C)OC(=O)C)[H])[H])(=O)=O)(F)(F)F
SPLASH splash10-0006-9002300000-f6da49e66782657f8bc9
Source of Spectrum J-49-4903-0
Synonyms 3-{[(trifluoromethyl)sulfonyl]oxy}estra-1,3,5(10),16-tetraen-17-yl acetate Acetic acid[(8R,9S,13S,14S)-13-methyl-3-(trifluoromethylsulfonyloxy)-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl]ester Acetic acid[(8R,9S,13S,14S)-13-methyl-3-triflyloxy-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl]ester [(8R,9S,13S,14S)-13-methyl-3-(trifluoromethylsulfonyloxy)-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl]acetate [(8R,9S,13S,14S)-13-methyl-3-(trifluoromethylsulfonyloxy)-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl]ethanoate Acetic acid [(8R,9S,13S,14S)-13-methyl-3-(trifluoromethylsulfonyloxy)-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl] ester [(8R,9S,13S,14S)-13-methyl-3-(trifluoromethylsulfonyloxy)-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl] acetate [(8R,9S,13S,14S)-13-methyl-3-(trifluoromethylsulfonyloxy)-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl] ethanoate
Wiley ID 1385907