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2-(2'-O-TRANS-CAFFEOYL)-C-BETA-D-GLUCOPYRANOSYL-1,3,6,7-TETRAHYDROXYXANTHONE
SpectraBase Compound ID Dtx0692ZVWV
InChI InChI=1S/C28H24O14/c29-9-19-24(37)26(39)28(42-20(35)4-2-10-1-3-12(30)13(31)5-10)27(41-19)21-16(34)8-18-22(25(21)38)23(36)11-6-14(32)15(33)7-17(11)40-18/h1-8,19,24,26-34,37-39H,9H2/b4-2+/t19-,24-,26+,27+,28-/m0/s1
InChIKey KJGSFWHQWXCZRH-DYXJYVNMSA-N
Mol Weight 584.49 g/mol
Molecular Formula C28H24O14
Exact Mass 584.116605 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JeEQRA3HNSo
Name 2-(2'-O-TRANS-CAFFEOYL)-C-BETA-D-GLUCOPYRANOSYL-1,3,6,7-TETRAHYDROXYXANTHONE
Compound Number 1
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H24O14
InChI InChI=1S/C28H24O14/c29-9-19-24(37)26(39)28(42-20(35)4-2-10-1-3-12(30)13(31)5-10)27(41-19)21-16(34)8-18-22(25(21)38)23(36)11-6-14(32)15(33)7-17(11)40-18/h1-8,19,24,26-34,37-39H,9H2/b4-2+/t19-,24-,26+,27+,28-/m0/s1
InChIKey KJGSFWHQWXCZRH-DYXJYVNMSA-N
Literature Reference Author P.M.PAULETTI,I.CASTRO-GAMBOA,D.H.S.SILVA,M.C.M.YOUNG,D.M.TOM AZELA,M.N.EBERLIN,V.
Literature Reference Citation J.NAT.PROD.,66,1384(2003)
Literature Reference DOI 10.1021/np030100t
Molecular Weight 584.490 g/mol
Solvent CD3OD
Source File Reference UWSP1135