John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=Hv0wlLf6zSL SpectraBase Spectrum ID=2tmQlst8Q7q

(accessed ).
QUERCETIN-3-O-[6''-O-(E)-PARA-COUMAROYL]-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID Hv0wlLf6zSL
InChI InChI=1S/C30H26O14/c31-15-5-1-13(2-6-15)3-8-22(36)41-12-21-24(37)26(39)27(40)30(43-21)44-29-25(38)23-19(35)10-16(32)11-20(23)42-28(29)14-4-7-17(33)18(34)9-14/h1-11,21,24,26-27,30-35,37,39-40H,12H2/b8-3+/t21-,24-,26+,27-,30+/m1/s1
InChIKey NBAZENYUDPJQIH-DVQXAVRRSA-N
Mol Weight 610.52 g/mol
Molecular Formula C30H26O14
Exact Mass 610.132256 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2tmQlst8Q7q
Name QUERCETIN-3-O-[6''-O-(E)-PARA-COUMAROYL]-BETA-D-GLUCOPYRANOSIDE
Compound Number 4
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H26O14
InChI InChI=1S/C30H26O14/c31-15-5-1-13(2-6-15)3-8-22(36)41-12-21-24(37)26(39)27(40)30(43-21)44-29-25(38)23-19(35)10-16(32)11-20(23)42-28(29)14-4-7-17(33)18(34)9-14/h1-11,21,24,26-27,30-35,37,39-40H,12H2/b8-3+/t21-,24-,26+,27-,30+/m1/s1
InChIKey NBAZENYUDPJQIH-DVQXAVRRSA-N
Literature Reference Author C.Q.ALVES,J.M.DAVID,J.P.DAVID,C.F.VILLAREAL,M.B.P.SOARES,L.P .D.QUEIROZ,R.M.AGR
Literature Reference Citation QUIM.NOVA,35,1137(2012)
Literature Reference DOI 10.1590/s0100-40422012000600013
Molecular Weight 610.528 g/mol
Solvent CD3OD
Source File Reference UWIR12392
SpectraBase Batch ID AFKbz0MFRQg