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6-METHOXY-QUERCETIN-3-O-BETA-D-6''-(PARA-COUMAROYL)-GLUCOPYRANOSIDE
SpectraBase Compound ID KlsxZAUWePP
InChI InChI=1S/C31H28O15/c1-42-29-18(35)11-19-22(24(29)38)25(39)30(28(44-19)14-5-8-16(33)17(34)10-14)46-31-27(41)26(40)23(37)20(45-31)12-43-21(36)9-4-13-2-6-15(32)7-3-13/h2-11,20,23,26-27,31-35,37-38,40-41H,12H2,1H3/b9-4+/t20-,23-,26+,27-,31+/m0/s1
InChIKey KJWWXDAOVGVYQG-FHEYKYOXSA-N
Mol Weight 640.55 g/mol
Molecular Formula C31H28O15
Exact Mass 640.14282 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CDoR3Aoiydh
Name 6-METHOXY-QUERCETIN-3-O-BETA-D-6''-(PARA-COUMAROYL)-GLUCOPYRANOSIDE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H28O15
InChI InChI=1S/C31H28O15/c1-42-29-18(35)11-19-22(24(29)38)25(39)30(28(44-19)14-5-8-16(33)17(34)10-14)46-31-27(41)26(40)23(37)20(45-31)12-43-21(36)9-4-13-2-6-15(32)7-3-13/h2-11,20,23,26-27,31-35,37-38,40-41H,12H2,1H3/b9-4+/t20-,23-,26+,27-,31+/m0/s1
InChIKey KJWWXDAOVGVYQG-FHEYKYOXSA-N
Literature Reference Author F.D.P.D.ANDRADE,L.C.D.SANTOS,A.L.DOKKEDAL,W.VILEGAS
Literature Reference Citation PHYTOCHEM.,51,411(1999)
Literature Reference DOI 10.1016/S0031-9422(99)00028-X
Molecular Weight 640.554 g/mol
Solvent DMSO-D6
Source File Reference UWUC317