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6-O-(E)-CAFFEOYL-[2-O-(6-O-PARA-HYDROXYBENZOYL)-BETA-D-GLUCOPYRANOSYL]-ALPHA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID Flu7x8Rw6jt
InChI InChI=1S/C28H32O16/c29-14-5-3-13(4-6-14)26(38)41-11-18-20(33)22(35)24(37)28(43-18)44-25-23(36)21(34)17(42-27(25)39)10-40-19(32)8-2-12-1-7-15(30)16(31)9-12/h1-9,17-18,20-25,27-31,33-37,39H,10-11H2/b8-2+/t17-,18+,20+,21-,22-,23+,24+,25-,27+,28-/m1/s1
InChIKey JZMYQCDQWVDCPM-INZPTNNYSA-N
Mol Weight 624.5 g/mol
Molecular Formula C28H32O16
Exact Mass 624.169035 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A4QbGmDUW4V
Name 6-O-(E)-CAFFEOYL-[2-O-(6-O-PARA-HYDROXYBENZOYL)-BETA-D-GLUCOPYRANOSYL]-ALPHA-D-GLUCOPYRANOSIDE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H32O16
InChI InChI=1S/C28H32O16/c29-14-5-3-13(4-6-14)26(38)41-11-18-20(33)22(35)24(37)28(43-18)44-25-23(36)21(34)17(42-27(25)39)10-40-19(32)8-2-12-1-7-15(30)16(31)9-12/h1-9,17-18,20-25,27-31,33-37,39H,10-11H2/b8-2+/t17-,18+,20+,21-,22-,23+,24+,25-,27+,28-/m1/s1
InChIKey JZMYQCDQWVDCPM-INZPTNNYSA-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 624.552 g/mol
Sample ID 68139
Solvent DMSO-D6:CF3COOD=9:1