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6-O-(E)-CAFFEOYL-[2-O-(6-O-(E)-FERULOYL)-BETA-D-GLUCOPYRANOSYL]-ALPHA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID ITMNg35UmAB
InChI InChI=1S/C31H36O17/c1-43-19-11-15(3-7-17(19)33)5-9-23(36)45-13-21-24(37)26(39)28(41)31(47-21)48-29-27(40)25(38)20(46-30(29)42)12-44-22(35)8-4-14-2-6-16(32)18(34)10-14/h2-11,20-21,24-34,37-42H,12-13H2,1H3/b8-4+,9-5+/t20-,21+,24+,25-,26-,27+,28+,29-,30+,31-/m1/s1
InChIKey LPVAWTVLOAMARE-MSUXWPDBSA-N
Mol Weight 680.6 g/mol
Molecular Formula C31H36O17
Exact Mass 680.19525 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BP8pKFovaTc
Name 6-O-(E)-CAFFEOYL-[2-O-(6-O-(E)-FERULOYL)-BETA-D-GLUCOPYRANOSYL]-ALPHA-D-GLUCOPYRANOSIDE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H36O17
InChI InChI=1S/C31H36O17/c1-43-19-11-15(3-7-17(19)33)5-9-23(36)45-13-21-24(37)26(39)28(41)31(47-21)48-29-27(40)25(38)20(46-30(29)42)12-44-22(35)8-4-14-2-6-16(32)18(34)10-14/h2-11,20-21,24-34,37-42H,12-13H2,1H3/b8-4+,9-5+/t20-,21+,24+,25-,26-,27+,28+,29-,30+,31-/m1/s1
InChIKey LPVAWTVLOAMARE-MSUXWPDBSA-N
Literature Reference Author N.TERAHARA,T.MATSUI,K.MINODA,K.NASU,R.KIKUCHI,K.FUKUI,H.ONO, K.MATSUMOTO
Literature Reference Citation J.AGR.FOOD.CHEM.,57,8331(2009)
Literature Reference DOI 10.1021/jf901809p
Molecular Weight 680.617 g/mol
Sample ID 68140
Solvent DMSO-D6:CF3COOD=9:1