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QUERCETIN_3-O-(2''-O-GALLOYL)-GLUCOSIDE
SpectraBase Compound ID IWt8OhBJbQ6
InChI InChI=1S/C28H24O16/c29-8-18-21(37)23(39)26(43-27(40)10-4-15(34)20(36)16(35)5-10)28(42-18)44-25-22(38)19-14(33)6-11(30)7-17(19)41-24(25)9-1-2-12(31)13(32)3-9/h1-7,18,21,23,26,28-37,39H,8H2/t18-,21-,23+,26-,28+/m0/s1
InChIKey PXGWEUQZDRUMRE-LYZKBAGSSA-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 622e5Qvt4rM
Name QUERCETIN_3-O-(2''-O-GALLOYL)-GLUCOSIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H24O16
InChI InChI=1S/C28H24O16/c29-8-18-21(37)23(39)26(43-27(40)10-4-15(34)20(36)16(35)5-10)28(42-18)44-25-22(38)19-14(33)6-11(30)7-17(19)41-24(25)9-1-2-12(31)13(32)3-9/h1-7,18,21,23,26,28-37,39H,8H2/t18-,21-,23+,26-,28+/m0/s1
InChIKey PXGWEUQZDRUMRE-LYZKBAGSSA-N
Literature Reference Author G.PAKULSKI,J.BUDZIANOWSKI
Literature Reference Citation PLANTA.MED.,62,95(1996)
Literature Reference DOI 10.1055/s-2006-957824
Molecular Weight 616.489 g/mol
Solvent DMSO-D6
Source File Reference UIAP806