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5,7,2',4'-TETRAHYDROXY-3'-[7-HYDROXY-3,7-DIMETHYL-(2E)-OCTENYL]-ISOFLAVANONE
SpectraBase Compound ID HnlRMOPBmxE
InChI InChI=1S/C25H30O7/c1-14(5-4-10-25(2,3)31)6-7-17-19(27)9-8-16(23(17)29)18-13-32-21-12-15(26)11-20(28)22(21)24(18)30/h6,8-9,11-12,18,26-29,31H,4-5,7,10,13H2,1-3H3/b14-6+
InChIKey MFAXFSSSKGTNQR-MKMNVTDBSA-N
Mol Weight 442.51 g/mol
Molecular Formula C25H30O7
Exact Mass 442.199153 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2SBGVOJdK8W
Name 5,7,2',4'-TETRAHYDROXY-3'-[7-HYDROXY-3,7-DIMETHYL-(2E)-OCTENYL]-ISOFLAVANONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H30O7
InChI InChI=1S/C25H30O7/c1-14(5-4-10-25(2,3)31)6-7-17-19(27)9-8-16(23(17)29)18-13-32-21-12-15(26)11-20(28)22(21)24(18)30/h6,8-9,11-12,18,26-29,31H,4-5,7,10,13H2,1-3H3/b14-6+
InChIKey MFAXFSSSKGTNQR-MKMNVTDBSA-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 442.509 g/mol
Sample ID 68074
Solvent ACETONE-D6