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5-[3-acetyl-2,4,6-trihydroxy-5-(3-methylbut-2-enyl)benzyl]-2-ethyl-6-methoxy-3-methyl-pyran-4-one
SpectraBase Compound ID JW96gqMDnxg
InChI InChI=1S/C23H28O7/c1-7-17-12(4)19(25)16(23(29-6)30-17)10-15-20(26)14(9-8-11(2)3)21(27)18(13(5)24)22(15)28/h8,26-28H,7,9-10H2,1-6H3
InChIKey PBPNYHLWMORBRT-UHFFFAOYSA-N
Mol Weight 416.47 g/mol
Molecular Formula C23H28O7
Exact Mass 416.183503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fgogp18L2CM
Name 5-[3-acetyl-2,4,6-trihydroxy-5-(3-methylbut-2-enyl)benzyl]-2-ethyl-6-methoxy-3-methyl-pyran-4-one
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H28O7
InChI InChI=1S/C23H28O7/c1-7-17-12(4)19(25)16(23(29-6)30-17)10-15-20(26)14(9-8-11(2)3)21(27)18(13(5)24)22(15)28/h8,26-28H,7,9-10H2,1-6H3
InChIKey PBPNYHLWMORBRT-UHFFFAOYSA-N
Literature Reference Author G.APPENDINO,M.OTTINO,N.MARQUEZ,F.BIANCHI,A.GIANA,M.BALLERO,O .STERNER,B.L.FIEBICH
Literature Reference Citation J.NAT.PROD.,70,608(2007)
Literature Reference DOI 10.1021/np060581r
Molecular Weight 416.471 g/mol
Sample ID 30158
Solvent CDCl3