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QUERCETIN-4'-O-BETA-D-GLUCOPYRANOSYL-6''-GALLATE

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QUERCETIN-4'-O-BETA-D-GLUCOPYRANOSYL-6''-GALLATE
SpectraBase Compound ID GaWKzi0BhtX
InChI InChI=1S/C28H24O16/c29-11-6-13(31)19-17(7-11)42-26(24(38)22(19)36)9-1-2-16(12(30)3-9)43-28-25(39)23(37)21(35)18(44-28)8-41-27(40)10-4-14(32)20(34)15(33)5-10/h1-7,18,21,23,25,28-35,37-39H,8H2/t18-,21-,23+,25-,28-/m0/s1
InChIKey DJKLSYQJVKLXFN-HFLFVXTNSA-N
Mol Weight 616.48 g/mol
Molecular Formula C28H24O16
Exact Mass 616.106435 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B4OpqDq7Py0
Name QUERCETIN-4'-O-BETA-D-GLUCOPYRANOSYL-6''-GALLATE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H24O16
InChI InChI=1S/C28H24O16/c29-11-6-13(31)19-17(7-11)42-26(24(38)22(19)36)9-1-2-16(12(30)3-9)43-28-25(39)23(37)21(35)18(44-28)8-41-27(40)10-4-14(32)20(34)15(33)5-10/h1-7,18,21,23,25,28-35,37-39H,8H2/t18-,21-,23+,25-,28-/m0/s1
InChIKey DJKLSYQJVKLXFN-HFLFVXTNSA-N
Literature Reference Author H.OKAMURA,A.MIMURA,M.NIWANO,Y.TAKAHARA,H.YASUDA,H.YOSHIDA
Literature Reference Citation PHYTOCHEM.,33,512(1993)
Literature Reference DOI 10.1016/0031-9422(93)85553-4
Molecular Weight 616.489 g/mol
Solvent DMSO-D6
Source File Reference UWVN6469