For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2-FLUOROMETHYLESTRA-1,3,5(10)-TRIENE-17-ONE-3-(2,2,2-TRICHLOROETHYL)-SULFATE

View entire compound with spectra: 1 NMR

2-FLUOROMETHYLESTRA-1,3,5(10)-TRIENE-17-ONE-3-(2,2,2-TRICHLOROETHYL)-SULFATE
SpectraBase Compound ID EMxp0mvHm5X
InChI InChI=1S/C21H23Cl3F2O5S/c1-20-7-6-12-13(16(20)4-5-18(20)27)3-2-11-8-17(15(19(25)26)9-14(11)12)31-32(28,29)30-10-21(22,23)24/h8-9,12-13,16,19H,2-7,10H2,1H3/t12-,13+,16-,20-/m0/s1
InChIKey VFLJKFRXBVHBAT-KNLUSZGBSA-N
Mol Weight 531.83 g/mol
Molecular Formula C21H23Cl3F2O5S
Exact Mass 530.029984 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID IXsC1v47xbE
Name 2-FLUOROMETHYLESTRA-1,3,5(10)-TRIENE-17-ONE-3-(2,2,2-TRICHLOROETHYL)-SULFATE
Compound Number 47
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H23Cl3F2O5S
InChI InChI=1S/C21H23Cl3F2O5S/c1-20-7-6-12-13(16(20)4-5-18(20)27)3-2-11-8-17(15(19(25)26)9-14(11)12)31-32(28,29)30-10-21(22,23)24/h8-9,12-13,16,19H,2-7,10H2,1H3/t12-,13+,16-,20-/m0/s1
InChIKey VFLJKFRXBVHBAT-KNLUSZGBSA-N
Literature Reference Author Y.LIU,I.F.F.LIEN,S.RUTTGAIZER,P.DOVE,S.D.TAYLOR
Literature Reference Citation ORG.LETTERS,6,209(2004)
Literature Reference DOI 10.1021/ol036157o
Solvent CDCl3
Source File Reference UWSI34999