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GENISTEIN-7,4'-DIACETYLFERULIC-ACID

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GENISTEIN-7,4'-DIACETYLFERULIC-ACID
SpectraBase Compound ID 5Dimut1GBpf
InChI InChI=1S/C39H30O13/c1-22(40)49-31-13-5-24(17-33(31)46-3)7-15-36(43)51-27-11-9-26(10-12-27)29-21-48-35-20-28(19-30(42)38(35)39(29)45)52-37(44)16-8-25-6-14-32(50-23(2)41)34(18-25)47-4/h5-21,42H,1-4H3/b15-7+,16-8+
InChIKey NWMBUYIRENPFNE-BGPOSVGRSA-N
Mol Weight 706.7 g/mol
Molecular Formula C39H30O13
Exact Mass 706.168641 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HdLoaPtauXA
Name GENISTEIN-7,4'-DIACETYLFERULIC-ACID
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H30O13
InChI InChI=1S/C39H30O13/c1-22(40)49-31-13-5-24(17-33(31)46-3)7-15-36(43)51-27-11-9-26(10-12-27)29-21-48-35-20-28(19-30(42)38(35)39(29)45)52-37(44)16-8-25-6-14-32(50-23(2)41)34(18-25)47-4/h5-21,42H,1-4H3/b15-7+,16-8+
InChIKey NWMBUYIRENPFNE-BGPOSVGRSA-N
Literature Reference Author P.LI,X.SHI,Y.WEI,L.QIN,W.SUN,G.XU,T.XU,T.LIU
Literature Reference Citation MOLECULES,20,17016(2015)
Literature Reference DOI 10.3390/molecules200917016
Molecular Weight 706.659 g/mol
Solvent DMSO-D6
Source File Reference UWPA5157