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MALLOTOJAPONIN_B;3-(3,3-DIMETHYLALLYL)-1-(5-ACETYL-6-HYDROXY-3-METHYL-2-METHOXY-BENZYL)-2-METHOXYPHLORACETOPHENONE
SpectraBase Compound ID Dymrk0zBKKp
InChI InChI=1S/C25H30O8/c1-11(2)8-9-15-21(29)19(14(5)27)23(31)17(25(15)33-7)10-16-22(30)18(13(4)26)20(28)12(3)24(16)32-6/h8,28-31H,9-10H2,1-7H3
InChIKey WVPDRBVWCPPZIR-UHFFFAOYSA-N
Mol Weight 458.51 g/mol
Molecular Formula C25H30O8
Exact Mass 458.194068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4ytwqsUZUb8
Name MALLOTOJAPONIN_B;3-(3,3-DIMETHYLALLYL)-1-(5-ACETYL-6-HYDROXY-3-METHYL-2-METHOXY-BENZYL)-2-METHOXYPHLORACETOPHENONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H30O8
InChI InChI=1S/C25H30O8/c1-11(2)8-9-15-21(29)19(14(5)27)23(31)17(25(15)33-7)10-16-22(30)18(13(4)26)20(28)12(3)24(16)32-6/h8,28-31H,9-10H2,1-7H3
InChIKey WVPDRBVWCPPZIR-UHFFFAOYSA-N
Literature Reference Author L.HARINANTENAINA,J.D.BOWMAN,P.J.BRODIE,C.SLEBODNICK,M.W.CALL MANDER,E.RAKOTOBE,V.
Literature Reference Citation J.NAT.PROD.,76,388(2013)
Literature Reference DOI 10.1021/np300750q
Molecular Weight 458.508 g/mol
Sample ID 42282
Solvent CDCl3