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ADHUMULONE
SpectraBase Compound ID CXZ1QZsxm6H
InChI InChI=1S/C21H30O5/c1-7-14(6)17(22)16-18(23)15(9-8-12(2)3)19(24)21(26,20(16)25)11-10-13(4)5/h8,10,14,23,25-26H,7,9,11H2,1-6H3/t14?,21-/m1/s1
InChIKey QLDKPODPJVFMAW-OKKPIIHCSA-N
Mol Weight 362.47 g/mol
Molecular Formula C21H30O5
Exact Mass 362.209324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GxKBDNW2aEZ
Name ADHUMULONE
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H30O5
InChI InChI=1S/C21H30O5/c1-7-14(6)17(22)16-18(23)15(9-8-12(2)3)19(24)21(26,20(16)25)11-10-13(4)5/h8,10,14,23,25-26H,7,9,11H2,1-6H3/t14?,21-/m1/s1
InChIKey QLDKPODPJVFMAW-OKKPIIHCSA-N
Literature Reference Author .INTELMANN,G.HASELEU,T.HOFMANN
Literature Reference Citation J.AGR.FOOD.CHEM.,57,1172(2009)
Literature Reference DOI 10.1021/jf803040g
Molecular Weight 362.466 g/mol
Sample ID 67926
Solvent CD3OD