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2-O-DEHYDRODIGALLIC-ACID-MONOCARBOXYLOYL-3-O-GALLOYL-ALPHA/BETA-GLUCOPYRANOSIDE;MIXTURE
SpectraBase Compound ID 5CmBHG5tuwk
InChI InChI=1S/2C27H24O19/c2*28-6-15-19(36)22(45-25(40)7-1-10(29)16(33)11(30)2-7)23(27(42)44-15)46-26(41)8-3-12(31)17(34)14(4-8)43-21-9(24(38)39)5-13(32)18(35)20(21)37/h2*1-5,15,19,22-23,27-37,42H,6H2,(H,38,39)/t15-,19-,22+,23-,27+;15-,19-,22+,23-,27-/m01/s1
InChIKey AJQZCYDJGDSLKW-DFNZYLBGSA-N
Mol Weight 1304.94 g/mol
Molecular Formula C54H48O38
Exact Mass 1304.182357 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FCtRmIy3hT
Name 2-O-DEHYDRODIGALLIC-ACID-MONOCARBOXYLOYL-3-O-GALLOYL-ALPHA/BETA-GLUCOPYRANOSIDE;MIXTURE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H48O38
InChI InChI=1S/2C27H24O19/c2*28-6-15-19(36)22(45-25(40)7-1-10(29)16(33)11(30)2-7)23(27(42)44-15)46-26(41)8-3-12(31)17(34)14(4-8)43-21-9(24(38)39)5-13(32)18(35)20(21)37/h2*1-5,15,19,22-23,27-37,42H,6H2,(H,38,39)/t15-,19-,22+,23-,27+;15-,19-,22+,23-,27-/m01/s1
InChIKey AJQZCYDJGDSLKW-DFNZYLBGSA-N
Literature Reference Author M.A.NAWWAR,N.A.AYOUB,M.A.EL-RAI,F.BASSYOUNY,E.S.MOSTAFA,A.M. AL-ABD,M.HARMS,K.WEN
Literature Reference Citation FITOTERAPIA,83,1256(2012)
Literature Reference DOI 10.1016/j.fitote.2012.06.007
Molecular Weight 1304.952 g/mol
Sample ID 72039
Solvent DMSO-D6