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(2''S,3''R,4''S)-5,7,3'',4''-TETRAHYDROXY-[2''-METHYL-2''-(4-METHYL-3-PENTENYL)-PYRANO]-5'',6'':3',4'-ISOFLAVONE
SpectraBase Compound ID XljatNJ0RU
InChI InChI=1S/C25H26O7/c1-13(2)5-4-8-25(3)24(30)23(29)16-9-14(6-7-19(16)32-25)17-12-31-20-11-15(26)10-18(27)21(20)22(17)28/h5-7,9-12,23-24,26-27,29-30H,4,8H2,1-3H3/t23-,24+,25-/m0/s1
InChIKey DWPNEVWBBSMKOI-GVAUOCQISA-N
Mol Weight 438.48 g/mol
Molecular Formula C25H26O7
Exact Mass 438.167853 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BIxI7oslmt7
Name (2''S,3''R,4''S)-5,7,3'',4''-TETRAHYDROXY-[2''-METHYL-2''-(4-METHYL-3-PENTENYL)-PYRANO]-5'',6'':3',4'-ISOFLAVONE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H26O7
InChI InChI=1S/C25H26O7/c1-13(2)5-4-8-25(3)24(30)23(29)16-9-14(6-7-19(16)32-25)17-12-31-20-11-15(26)10-18(27)21(20)22(17)28/h5-7,9-12,23-24,26-27,29-30H,4,8H2,1-3H3/t23-,24+,25-/m0/s1
InChIKey DWPNEVWBBSMKOI-GVAUOCQISA-N
Literature Reference Author Q.Y.SHOU,R.Z.FU,Q.TAN,Z.W.SHEN
Literature Reference Citation J.AGR.FOOD.CHEM.,57,6712(2009)
Literature Reference DOI 10.1021/jf9009894
Molecular Weight 438.477 g/mol
Sample ID 68076
Solvent CD3OD