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5,7,3'-TRIHYDROXY-2'-(3-METHYLBUT-2-ENYL)-4',5'-(3,3-DIMETHYLPYRANO)-ISOFLAVONE
SpectraBase Compound ID 3NCnVfyrBBk
InChI InChI=1S/C25H24O6/c1-13(2)5-6-16-17(9-14-7-8-25(3,4)31-24(14)23(16)29)18-12-30-20-11-15(26)10-19(27)21(20)22(18)28/h5,7-12,26-27,29H,6H2,1-4H3
InChIKey MXRSYAGBZPTIHM-UHFFFAOYSA-N
Mol Weight 420.46 g/mol
Molecular Formula C25H24O6
Exact Mass 420.157288 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D5cvIm3BjIm
Name 5,7,3'-TRIHYDROXY-2'-(3-METHYLBUT-2-ENYL)-4',5'-(3,3-DIMETHYLPYRANO)-ISOFLAVONE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H24O6
InChI InChI=1S/C25H24O6/c1-13(2)5-6-16-17(9-14-7-8-25(3,4)31-24(14)23(16)29)18-12-30-20-11-15(26)10-19(27)21(20)22(18)28/h5,7-12,26-27,29H,6H2,1-4H3
InChIKey MXRSYAGBZPTIHM-UHFFFAOYSA-N
Literature Reference Author E.M.AHN,N.NAKAMURA,T.AKAO,K.KOMATSU,M.H.QUI,M.HATTORI
Literature Reference Citation PHYTOCHEM.,64,1389(2003)
Literature Reference DOI 10.1016/j.phytochem.2003.09.003
Molecular Weight 420.462 g/mol
Solvent CDCl3
Source File Reference UWKP5716