John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=2sUyXuKkER SpectraBase Spectrum ID=10LuSfLnYsl

(accessed ).
11-BETA,21-DIHYDROXYPREGNA-1,4-DIEN-3,20-DION
SpectraBase Compound ID 2sUyXuKkER
InChI InChI=1S/C21H28O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h7-9,14-17,19,22,24H,3-6,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1
InChIKey ZFQSDPPADTWKDI-HJTSIMOOSA-N
Mol Weight 344.45 g/mol
Molecular Formula C21H28O4
Exact Mass 344.19876 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 10LuSfLnYsl
Name 11-BETA,21-DIHYDROXYPREGNA-1,4-DIEN-3,20-DION
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28O4
InChI InChI=1S/C21H28O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h7-9,14-17,19,22,24H,3-6,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1
InChIKey ZFQSDPPADTWKDI-HJTSIMOOSA-N
Literature Reference Author M.D.GONZALEZ,G.BURTON
Literature Reference Citation ORG.MAGN.RES.,22,586(1984)
Literature Reference DOI 10.1002/mrc.1270220914
Molecular Weight 344.451 g/mol
Solvent CDCl3
Source File Reference UNIW12728
SpectraBase Batch ID CsmfdTKA0nS