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3,16.alpha.-Bis[[(trifluoromethyl)sulfonyl]oxy]-11.beta.-ethylestra-1,3,5(10)-trien-17-one

View entire compound with spectra: 1 MS (GC)

3,16.alpha.-Bis[[(trifluoromethyl)sulfonyl]oxy]-11.beta.-ethylestra-1,3,5(10)-trien-17-one
SpectraBase Compound ID JlwSTxYe8SN
InChI InChI=1S/C22H24F6O7S2/c1-3-11-10-20(2)16(9-17(19(20)29)35-37(32,33)22(26,27)28)15-6-4-12-8-13(5-7-14(12)18(11)15)34-36(30,31)21(23,24)25/h5,7-8,11,15-18H,3-4,6,9-10H2,1-2H3/t11-,15-,16-,17+,18+,20-/m0/s1
InChIKey UGRYESCJABTACW-OPLPGRBKSA-N
Mol Weight 578.54 g/mol
Molecular Formula C22H24F6O7S2
Exact Mass 578.086764 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KqRsUcoSF7X
Name 3,16.alpha.-Bis[[(trifluoromethyl)sulfonyl]oxy]-11.beta.-ethylestra-1,3,5(10)-trien-17-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24F6O7S2
InChI InChI=1S/C22H24F6O7S2/c1-3-11-10-20(2)16(9-17(19(20)29)35-37(32,33)22(26,27)28)15-6-4-12-8-13(5-7-14(12)18(11)15)34-36(30,31)21(23,24)25/h5,7-8,11,15-18H,3-4,6,9-10H2,1-2H3/t11-,15-,16-,17+,18+,20-/m0/s1
InChIKey UGRYESCJABTACW-OPLPGRBKSA-N
Molecular Weight 578.537 g/mol
SMILES c1(ccc2c(c1)CC[C@]1([C@@]3(C[C@](C([C@@]3(C)C[C@@]([C@]21[H])(CC)[H])=O)(OS(=O)(=O)C(F)(F)F)[H])[H])[H])OS(=O)(=O)C(F)(F)F
SPLASH splash10-00di-0749040000-7bf2a87691717109a656
Source of Spectrum E1-36-1626-5
Synonyms (11beta,16alpha)-11-ethyl-17-oxo-3-{[(trifluoromethyl)sulfonyl]oxy}estra-1,3,5(10)-trien-16-yl trifluoromethanesulfonate Trifluoromethanesulfonic acid[(8S,9S,11S,13S,14S,16R)-11-ethyl-13-methyl-17-oxo-3-(trifluoromethylsulfonyloxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-yl]ester Trifluoromethanesulfonic acid[(8S,9S,11S,13S,14S,16R)-11-ethyl-17-keto-13-methyl-3-triflyloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-yl]ester [(8S,9S,11S,13S,14S,16R)-11-ethyl-13-methyl-17-oxidanylidene-3-(trifluoromethylsulfonyloxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-yl]tris(fluoranyl)methanesulfonate [(8S,9S,11S,13S,14S,16R)-11-ethyl-13-methyl-17-oxo-3-(trifluoromethylsulfonyloxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-yl]trifluoromethanesulfonate Trifluoromethanesulfonic acid [(8S,9S,11S,13S,14S,16R)-11-ethyl-13-methyl-17-oxo-3-(trifluoromethylsulfonyloxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-yl] ester [(8S,9S,11S,13S,14S,16R)-11-ethyl-13-methyl-17-oxo-3-(trifluoromethylsulfonyloxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-yl] trifluoromethanesulfonate [(8S,9S,11S,13S,14S,16R)-11-ethyl-13-methyl-17-oxidanylidene-3-(trifluoromethylsulfonyloxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-yl] tris(fluoranyl)methanesulfonate
Wiley ID 1574664