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2'-BENZYLOXY-5,7-DIHYDROXY-6'',6''-DIMETHYLPYRANO-[2''.3'':4'.5']-ISOFLAVONE
SpectraBase Compound ID KtXJqjG5c23
InChI InChI=1S/C27H22O6/c1-27(2)9-8-17-10-19(20-15-32-24-12-18(28)11-21(29)25(24)26(20)30)23(13-22(17)33-27)31-14-16-6-4-3-5-7-16/h3-13,15,28-29H,14H2,1-2H3
InChIKey WNMBESJMJCYHKG-UHFFFAOYSA-N
Mol Weight 442.47 g/mol
Molecular Formula C27H22O6
Exact Mass 442.141638 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H6l89P3nFn5
Name 2'-BENZYLOXY-5,7-DIHYDROXY-6'',6''-DIMETHYLPYRANO-[2''.3'':4'.5']-ISOFLAVONE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H22O6
InChI InChI=1S/C27H22O6/c1-27(2)9-8-17-10-19(20-15-32-24-12-18(28)11-21(29)25(24)26(20)30)23(13-22(17)33-27)31-14-16-6-4-3-5-7-16/h3-13,15,28-29H,14H2,1-2H3
InChIKey WNMBESJMJCYHKG-UHFFFAOYSA-N
Literature Reference Author M.A.SELEPE,S.E.DREWES,F.R.VANHEERDEN
Literature Reference Citation J.NAT.PROD.,73,1680(2010)
Literature Reference DOI 10.1021/np100407n
Molecular Weight 442.468 g/mol
Sample ID 36032
Solvent CDCl3