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3,4-DIHYDROXYPHENYLETHYL-[[BETA-ALLOPYRANOSYL-(1->3)]-CAFFEOYL-(1->4)-BETA-D-GLUCOPYRANOSE]-BETA-ALLOPYRANOSIDE
SpectraBase Compound ID 93c3cCRR8Gs
InChI InChI=1S/C29H36O16/c30-11-19-22(37)23(38)24(39)29(42-19)45-27-25(40)28(41-8-7-14-2-5-16(33)18(35)10-14)43-20(12-31)26(27)44-21(36)6-3-13-1-4-15(32)17(34)9-13/h1-6,9-10,19-20,22-35,37-40H,7-8,11-12H2/b6-3+/t19-,20+,22-,23-,24-,25+,26+,27+,28+,29+/m1/s1
InChIKey KFEFLPDKISUVNR-KLAZCIFISA-N
Mol Weight 640.6 g/mol
Molecular Formula C29H36O16
Exact Mass 640.200335 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B52MUV4HUqP
Name 3,4-DIHYDROXYPHENYLETHYL-[[BETA-ALLOPYRANOSYL-(1->3)]-CAFFEOYL-(1->4)-BETA-D-GLUCOPYRANOSE]-BETA-ALLOPYRANOSIDE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H36O16
InChI InChI=1S/C29H36O16/c30-11-19-22(37)23(38)24(39)29(42-19)45-27-25(40)28(41-8-7-14-2-5-16(33)18(35)10-14)43-20(12-31)26(27)44-21(36)6-3-13-1-4-15(32)17(34)9-13/h1-6,9-10,19-20,22-35,37-40H,7-8,11-12H2/b6-3+/t19-,20+,22-,23-,24-,25+,26+,27+,28+,29+/m1/s1
InChIKey KFEFLPDKISUVNR-KLAZCIFISA-N
Literature Reference Author H.FRANZYK,T.L.HUSUM,S.R.JENSEN
Literature Reference Citation PHYTOCHEM.,47,1161(1998)
Literature Reference DOI 10.1016/S0031-9422(97)00527-X
Molecular Weight 640.595 g/mol
Solvent CD3OD
Source File Reference UWMS536