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6-O-(E)-CAFFEOYL-[2-O-(6-O-(E)-CAFFEOYL)-BETA-D-GLUCOPYRANOSYL]-ALPHA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID HnJEvnPyPy6
InChI InChI=1S/C30H34O17/c31-15-5-1-13(9-17(15)33)3-7-21(35)43-11-19-24(38)26(40)28(29(42)45-19)47-30-27(41)25(39)23(37)20(46-30)12-44-22(36)8-4-14-2-6-16(32)18(34)10-14/h1-10,19-20,23-34,37-42H,11-12H2/b7-3+,8-4+/t19-,20+,23+,24-,25-,26+,27+,28-,29+,30-/m1/s1
InChIKey AVMOJPUSFRKWRB-CETMOWRESA-N
Mol Weight 666.6 g/mol
Molecular Formula C30H34O17
Exact Mass 666.1796 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5H5gZYK7xA4
Name 6-O-(E)-CAFFEOYL-[2-O-(6-O-(E)-CAFFEOYL)-BETA-D-GLUCOPYRANOSYL]-ALPHA-D-GLUCOPYRANOSIDE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H34O17
InChI InChI=1S/C30H34O17/c31-15-5-1-13(9-17(15)33)3-7-21(35)43-11-19-24(38)26(40)28(29(42)45-19)47-30-27(41)25(39)23(37)20(46-30)12-44-22(36)8-4-14-2-6-16(32)18(34)10-14/h1-10,19-20,23-34,37-42H,11-12H2/b7-3+,8-4+/t19-,20+,23+,24-,25-,26+,27+,28-,29+,30-/m1/s1
InChIKey AVMOJPUSFRKWRB-CETMOWRESA-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 666.590 g/mol
Sample ID 68138
Solvent DMSO-D6:CF3COOD=9:1