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1,3-DI-O-GALLOYLQUINIC-ACID

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1,3-DI-O-GALLOYLQUINIC-ACID
SpectraBase Compound ID A3e54RNV3Z3
InChI InChI=1S/C21H20O14/c22-9-1-7(2-10(23)15(9)27)18(30)34-14-6-21(20(32)33,5-13(26)17(14)29)35-19(31)8-3-11(24)16(28)12(25)4-8/h1-4,13-14,17,22-29H,5-6H2,(H,32,33)/t13-,14-,17+,21-/m1/s1
InChIKey FQNDJQJKZKQULP-COESMTMPSA-N
Mol Weight 496.38 g/mol
Molecular Formula C21H20O14
Exact Mass 496.085305 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GRoSF45cFHQ
Name 1,3-DI-O-GALLOYLQUINIC-ACID
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H20O14
InChI InChI=1S/C21H20O14/c22-9-1-7(2-10(23)15(9)27)18(30)34-14-6-21(20(32)33,5-13(26)17(14)29)35-19(31)8-3-11(24)16(28)12(25)4-8/h1-4,13-14,17,22-29H,5-6H2,(H,32,33)/t13-,14-,17+,21-/m1/s1
InChIKey FQNDJQJKZKQULP-COESMTMPSA-N
Literature Reference Author N.BOUCHET,J.LEVESQUE,A.BLOND,B.BODO,J.L.POUSSET
Literature Reference Citation PHYTOCHEM.,42,189(1996)
Literature Reference DOI 10.1016/0031-9422(95)00925-6
Molecular Weight 496.381 g/mol
Solvent CD3OD
Source File Reference UWLU3264