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KAEMPFEROL-3-O-(2''-O-GALLOYL)-GLUCURONIDE

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KAEMPFEROL-3-O-(2''-O-GALLOYL)-GLUCURONIDE
SpectraBase Compound ID HOXuOkFiXbW
InChI InChI=1S/C28H22O16/c29-11-3-1-9(2-4-11)22-23(19(35)17-13(31)7-12(30)8-16(17)41-22)43-28-25(21(37)20(36)24(44-28)26(38)39)42-27(40)10-5-14(32)18(34)15(33)6-10/h1-8,20-21,24-25,28-34,36-37H,(H,38,39)/t20-,21-,24-,25+,28+/m1/s1
InChIKey OYBKGCKIYYHOJN-VJHNDIBNSA-N
Mol Weight 614.47 g/mol
Molecular Formula C28H22O16
Exact Mass 614.090785 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FgsCAyccgCK
Name KAEMPFEROL-3-O-(2''-O-GALLOYL)-GLUCURONIDE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H22O16
InChI InChI=1S/C28H22O16/c29-11-3-1-9(2-4-11)22-23(19(35)17-13(31)7-12(30)8-16(17)41-22)43-28-25(21(37)20(36)24(44-28)26(38)39)42-27(40)10-5-14(32)18(34)15(33)6-10/h1-8,20-21,24-25,28-34,36-37H,(H,38,39)/t20-,21-,24-,25+,28+/m1/s1
InChIKey OYBKGCKIYYHOJN-VJHNDIBNSA-N
Literature Reference Author M.YOSHIMURA,H.ITO,K.MIYASHITA,T.HATANO,S.TANIGUCHI,Y.AMAKURA ,T.YOSHIDA
Literature Reference Citation PHYTOCHEM.,69,3062(2008)
Literature Reference DOI 10.1016/j.phytochem.2008.04.004
Molecular Weight 614.473 g/mol
Sample ID 63852
Solvent ACETONE-D6:D2O