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EMPETRIKARINOL_B;1-[(2-R*,3-S*)-3,5,7-TRIHYDROXY-2-METHYL-(4-METHYLPENT-3-ENYL)-CHROMAN-8-YL]-2-METHYLBUTAN-1-ONE
SpectraBase Compound ID IYbNHG59x16
InChI InChI=1S/C21H30O5/c1-6-13(4)19(25)18-16(23)11-15(22)14-10-17(24)21(5,26-20(14)18)9-7-8-12(2)3/h8,11,13,17,22-24H,6-7,9-10H2,1-5H3/t13?,17-,21+/m0/s1
InChIKey OOUQAKUAWXZBEN-PTPQSVRFSA-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 3KfQ00kgAJl
Name EMPETRIKARINOL_B;1-[(2-R*,3-S*)-3,5,7-TRIHYDROXY-2-METHYL-(4-METHYLPENT-3-ENYL)-CHROMAN-8-YL]-2-METHYLBUTAN-1-ONE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H30O5
InChI InChI=1S/C21H30O5/c1-6-13(4)19(25)18-16(23)11-15(22)14-10-17(24)21(5,26-20(14)18)9-7-8-12(2)3/h8,11,13,17,22-24H,6-7,9-10H2,1-5H3/t13?,17-,21+/m0/s1
InChIKey OOUQAKUAWXZBEN-PTPQSVRFSA-N
Literature Reference Author S.SCHMIDT,G.JUERGENLIEMK,T.J.SCHMIDT,H.SKALTSA,J.HEILMANN
Literature Reference Citation J.NAT.PROD.,75,1697(2012)
Literature Reference DOI 10.1021/np300237n
Molecular Weight 362.466 g/mol
Sample ID 41490
Solvent CDCl3