John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=LyWIdfqzdCi SpectraBase Spectrum ID=1KUF4sWazd0

(accessed ).
20-[(1'R)-HYDROXY-4'-TRIFLUOROMETHYL-(3'E)-BUTEN-1'-YL]-3-OXOPREGN-4-ENE
SpectraBase Compound ID LyWIdfqzdCi
InChI InChI=1S/C26H37F3O2/c1-16(23(31)5-4-12-26(27,28)29)20-8-9-21-19-7-6-17-15-18(30)10-13-24(17,2)22(19)11-14-25(20,21)3/h4,12,15-16,19-23,31H,5-11,13-14H2,1-3H3/b12-4+/t16-,19-,20+,21-,22-,23-,24?,25?/m0/s1
InChIKey IVOCWCWRAAKCNT-QVPRBRRTSA-N
Mol Weight 438.6 g/mol
Molecular Formula C26H37F3O2
Exact Mass 438.274565 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1KUF4sWazd0
Name 20-[(1'R)-HYDROXY-4'-TRIFLUOROMETHYL-(3'E)-BUTEN-1'-YL]-3-OXOPREGN-4-ENE
Compound Number 2B
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H37F3O2
InChI InChI=1S/C26H37F3O2/c1-16(23(31)5-4-12-26(27,28)29)20-8-9-21-19-7-6-17-15-18(30)10-13-24(17,2)22(19)11-14-25(20,21)3/h4,12,15-16,19-23,31H,5-11,13-14H2,1-3H3/b12-4+/t16-,19-,20+,21-,22-,23-,24?,25?/m0/s1
InChIKey IVOCWCWRAAKCNT-QVPRBRRTSA-N
Literature Reference Author T.P.LOH,Q.Y.HU,L.T.MA
Literature Reference Citation ORG.LETTERS,4,2389(2002)
Literature Reference DOI 10.1021/ol026136e
Solvent CDCl3
Source File Reference UWLU35732
SpectraBase Batch ID ELFnZvPDg2U