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3-(2'-HYDROXY-4',5'-METHYLENEDIOXYPHENYL)-6-(3''-HYDROXYMETHYL-4''-HYDROXYBUT-2'-ENYL)-7-HYDROXYCOUMARIN
SpectraBase Compound ID 4QbUi03KMkn
InChI InChI=1S/C21H18O8/c22-8-11(9-23)1-2-12-3-13-4-15(21(26)29-18(13)6-16(12)24)14-5-19-20(7-17(14)25)28-10-27-19/h1,3-7,22-25H,2,8-10H2
InChIKey AFXMCBNNDAWVHC-UHFFFAOYSA-N
Mol Weight 398.37 g/mol
Molecular Formula C21H18O8
Exact Mass 398.100168 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID InFzqX8zGUP
Name 3-(2'-HYDROXY-4',5'-METHYLENEDIOXYPHENYL)-6-(3''-HYDROXYMETHYL-4''-HYDROXYBUT-2'-ENYL)-7-HYDROXYCOUMARIN
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H18O8
InChI InChI=1S/C21H18O8/c22-8-11(9-23)1-2-12-3-13-4-15(21(26)29-18(13)6-16(12)24)14-5-19-20(7-17(14)25)28-10-27-19/h1,3-7,22-25H,2,8-10H2
InChIKey AFXMCBNNDAWVHC-UHFFFAOYSA-N
Literature Reference Author J.M.NARVAEZ-MASTACHE,F.NOVILLO,G.DELGADO
Literature Reference Citation PHYTOCHEM.,69,451(2008)
Literature Reference DOI 10.1016/j.phytochem.2007.07.019
Molecular Weight 398.369 g/mol
Sample ID 44731
Solvent CD3OD