John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=2uXI2yqFp9c SpectraBase Spectrum ID=1kxivBn5G0Z

(accessed ).
QUERCETIN_3-O-(2'',3''-DI-O-GALLOYL)-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 2uXI2yqFp9c
InChI InChI=1S/C35H28O20/c36-10-23-27(47)30(53-33(49)12-4-18(41)25(45)19(42)5-12)32(54-34(50)13-6-20(43)26(46)21(44)7-13)35(52-23)55-31-28(48)24-17(40)8-14(37)9-22(24)51-29(31)11-1-2-15(38)16(39)3-11/h1-9,23,27,30,32,35-47H,10H2/t23-,27-,30+,32-,35+/m0/s1
InChIKey SDOROZFSWAADKQ-KQSZJQQFSA-N
Mol Weight 768.6 g/mol
Molecular Formula C35H28O20
Exact Mass 768.117394 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1kxivBn5G0Z
Name QUERCETIN_3-O-(2'',3''-DI-O-GALLOYL)-BETA-D-GLUCOPYRANOSIDE
Compound Number 2
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H28O20
InChI InChI=1S/C35H28O20/c36-10-23-27(47)30(53-33(49)12-4-18(41)25(45)19(42)5-12)32(54-34(50)13-6-20(43)26(46)21(44)7-13)35(52-23)55-31-28(48)24-17(40)8-14(37)9-22(24)51-29(31)11-1-2-15(38)16(39)3-11/h1-9,23,27,30,32,35-47H,10H2/t23-,27-,30+,32-,35+/m0/s1
InChIKey SDOROZFSWAADKQ-KQSZJQQFSA-N
Literature Reference Author Y.AMAKURA,K.KAWADA,T.HATANO,I.AGATA,T.SUGAYA,S.NISHIBE,T.OKU DA,T.YOSHIDA
Literature Reference Citation CAN.J.CHEM.,75,727(1997)
Literature Reference DOI 10.1139/v97-088
Molecular Weight 768.595 g/mol
Solvent ACETONE-D6:D2O
Source File Reference UWMZ849
SpectraBase Batch ID 1z6BpvWKm9S