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Humulone
SpectraBase Compound ID GMqI3XwfpRa
InChI InChI=1S/C21H30O5/c1-12(2)7-8-15-18(23)17(16(22)11-14(5)6)20(25)21(26,19(15)24)10-9-13(3)4/h7,9,14,23,25-26H,8,10-11H2,1-6H3/t21-/m1/s1
InChIKey VZMXLSLKOHIKTQ-OAQYLSRUSA-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 EyyoQEUjJm7
Name HUMULONE
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H30O5
InChI InChI=1S/C21H30O5/c1-12(2)7-8-15-18(23)17(16(22)11-14(5)6)20(25)21(26,19(15)24)10-9-13(3)4/h7,9,14,23,25-26H,8,10-11H2,1-6H3/t21-/m1/s1
InChIKey VZMXLSLKOHIKTQ-OAQYLSRUSA-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 67925
Solvent CD3OD