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BIOCHANIN-A-7-ACETYLFERULIC-ACIDESTER
SpectraBase Compound ID 5r3g48Kr3wg
InChI InChI=1S/C28H22O9/c1-16(29)36-23-10-4-17(12-24(23)34-3)5-11-26(31)37-20-13-22(30)27-25(14-20)35-15-21(28(27)32)18-6-8-19(33-2)9-7-18/h4-15,30H,1-3H3/b11-5+
InChIKey LUASITIPXZNAOZ-VZUCSPMQSA-N
Mol Weight 502.48 g/mol
Molecular Formula C28H22O9
Exact Mass 502.126382 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FuO3KIY30pP
Name BIOCHANIN-A-7-ACETYLFERULIC-ACIDESTER
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H22O9
InChI InChI=1S/C28H22O9/c1-16(29)36-23-10-4-17(12-24(23)34-3)5-11-26(31)37-20-13-22(30)27-25(14-20)35-15-21(28(27)32)18-6-8-19(33-2)9-7-18/h4-15,30H,1-3H3/b11-5+
InChIKey LUASITIPXZNAOZ-VZUCSPMQSA-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 502.477 g/mol
Solvent DMSO-D6
Source File Reference UWPA5158