John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=8HSLsw5tehm SpectraBase Spectrum ID=1I970MqQsIT

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3-EPI-APYLKURODINONE-B
SpectraBase Compound ID 8HSLsw5tehm
InChI InChI=1S/C20H30O3/c1-12(2)6-5-7-13(3)15-11-17-19-14(10-18(22)23-17)16(21)8-9-20(15,19)4/h6,13-15,17,19H,5,7-11H2,1-4H3/t13-,14-,15-,17+,19+,20-/m1/s1
InChIKey LILRNUJDHJYEPR-DRXPPAGNSA-N
Mol Weight 318.46 g/mol
Molecular Formula C20H30O3
Exact Mass 318.219495 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1I970MqQsIT
Name 3-EPI-APYLKURODINONE-B
Compound Number 5
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H30O3
InChI InChI=1S/C20H30O3/c1-12(2)6-5-7-13(3)15-11-17-19-14(10-18(22)23-17)16(21)8-9-20(15,19)4/h6,13-15,17,19H,5,7-11H2,1-4H3/t13-,14-,15-,17+,19+,20-/m1/s1
InChIKey LILRNUJDHJYEPR-DRXPPAGNSA-N
Literature Reference Author M.J.ORTEGA,E.ZUBIA,J.SALVA
Literature Reference Citation J.NAT.PROD.,60,488(1997)
Literature Reference DOI 10.1021/np9607464
Molecular Weight 318.456 g/mol
Solvent CDCl3
Source File Reference UWCP648
SpectraBase Batch ID EKC3ZW7SiKo