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QUERCETIN-3-O-(6-BETA-O-GALLOYL-BETA-D-GLUCOPYRANOSIDE)
SpectraBase Compound ID 2eUeC6tGMqj
InChI InChI=1S/C28H24O16/c29-11-6-14(32)19-17(7-11)42-25(9-1-2-12(30)13(31)3-9)26(22(19)37)44-28-24(39)23(38)21(36)18(43-28)8-41-27(40)10-4-15(33)20(35)16(34)5-10/h1-7,18,21,23-24,28-36,38-39H,8H2/t18-,21-,23+,24-,28+/m1/s1
InChIKey FMQQLXJREAGPHS-OAYLZIFXSA-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 IU3nTP1mcNa
Name QUERCETIN-3-O-(6-BETA-O-GALLOYL-BETA-D-GLUCOPYRANOSIDE)
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H24O16
InChI InChI=1S/C28H24O16/c29-11-6-14(32)19-17(7-11)42-25(9-1-2-12(30)13(31)3-9)26(22(19)37)44-28-24(39)23(38)21(36)18(43-28)8-41-27(40)10-4-15(33)20(35)16(34)5-10/h1-7,18,21,23-24,28-36,38-39H,8H2/t18-,21-,23+,24-,28+/m1/s1
InChIKey FMQQLXJREAGPHS-OAYLZIFXSA-N
Literature Reference Author M.JUNG,J.CHOI,H.S.CHAE,J.Y.CHO,Y.D.KIM,K.M.HTWE,W.S.LEE,Y.W. CHIN,J.KIM,K.D.YOON
Literature Reference Citation MOLECULES,20,358(2015)
Literature Reference DOI 10.3390/molecules20010358
Molecular Weight 616.489 g/mol
Solvent DMSO-D6
Source File Reference UWPA2023