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6-O-(E)-CAFFEOYL-2-O-BETA-D-GLUCOPYRANOSYL-ALPHA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 66SKaowyKTV
InChI InChI=1S/C21H28O14/c22-6-11-14(26)16(28)18(30)21(34-11)35-19-17(29)15(27)12(33-20(19)31)7-32-13(25)4-2-8-1-3-9(23)10(24)5-8/h1-5,11-12,14-24,26-31H,6-7H2/b4-2+/t11-,12+,14-,15+,16+,17-,18-,19+,20-,21+/m1/s1
InChIKey PXHNWJZYTYRGIL-MRMYELAVSA-N
Mol Weight 504.44 g/mol
Molecular Formula C21H28O14
Exact Mass 504.147906 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J3tYm9ULIa4
Name 6-O-(E)-CAFFEOYL-2-O-BETA-D-GLUCOPYRANOSYL-ALPHA-D-GLUCOPYRANOSIDE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28O14
InChI InChI=1S/C21H28O14/c22-6-11-14(26)16(28)18(30)21(34-11)35-19-17(29)15(27)12(33-20(19)31)7-32-13(25)4-2-8-1-3-9(23)10(24)5-8/h1-5,11-12,14-24,26-31H,6-7H2/b4-2+/t11-,12+,14-,15+,16+,17-,18-,19+,20-,21+/m1/s1
InChIKey PXHNWJZYTYRGIL-MRMYELAVSA-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 504.445 g/mol
Sample ID 68137
Solvent DMSO-D6:CF3COOD=9:1