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(3-BETA,17-E)-20-FLUOROPREGNA-5,17-(20)-DIEN-3,21-DIOL
SpectraBase Compound ID 9JAPFgD22Zz
InChI InChI=1S/C21H31FO2/c1-20-9-7-14(24)11-13(20)3-4-15-16-5-6-18(19(22)12-23)21(16,2)10-8-17(15)20/h3,14-17,23-24H,4-12H2,1-2H3/b19-18+/t14-,15-,16-,17-,20?,21?/m0/s1
InChIKey QLRNRCXQEKQMTH-MPSCUASESA-N
Mol Weight 334.48 g/mol
Molecular Formula C21H31FO2
Exact Mass 334.230808 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID YeErbowQKu
Name (3-BETA,17-E)-20-FLUOROPREGNA-5,17-(20)-DIEN-3,21-DIOL
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H31FO2
InChI InChI=1S/C21H31FO2/c1-20-9-7-14(24)11-13(20)3-4-15-16-5-6-18(19(22)12-23)21(16,2)10-8-17(15)20/h3,14-17,23-24H,4-12H2,1-2H3/b19-18+/t14-,15-,16-,17-,20?,21?/m0/s1
InChIKey QLRNRCXQEKQMTH-MPSCUASESA-N
Literature Reference Author J.P.BURKHART,P.M.WEINTRAUB,C.A.GATES,R.J.RESVICK,R.J.VAZ,D.F RIEDRICH,M.R.ANGELAS
Literature Reference Citation BIOORG.MED.CHEM.,10,929(2002)
Literature Reference DOI 10.1016/S0968-0896(01)00354-6
Solvent DMSO-D6
Source File Reference UWMZ22309