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GALLOCATECHIN-7-O-GALLATE
SpectraBase Compound ID 5xWRjbIxKgK
InChI InChI=1S/C22H18O11/c23-12-5-10(32-22(31)9-3-15(26)20(30)16(27)4-9)6-18-11(12)7-17(28)21(33-18)8-1-13(24)19(29)14(25)2-8/h1-6,17,21,23-30H,7H2/t17-,21+/m0/s1
InChIKey YKMHMATZTMIDNU-LAUBAEHRSA-N
Mol Weight 458.38 g/mol
Molecular Formula C22H18O11
Exact Mass 458.084911 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 95CCiZqgLYj
Name (+)-3,5,3',4',5'-PENTAHYDROXYFLAVAN-7-GALLATE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H18O11
InChI InChI=1S/C22H18O11/c23-12-5-10(32-22(31)9-3-15(26)20(30)16(27)4-9)6-18-11(12)7-17(28)21(33-18)8-1-13(24)19(29)14(25)2-8/h1-6,17,21,23-30H,7H2/t17-,21+/m0/s1
InChIKey YKMHMATZTMIDNU-LAUBAEHRSA-N
Literature Reference Author J.KANG,C.LIU,H.WANG,B.LI,C.LI,R.CHEN,A.LIU
Literature Reference Citation MOLECULES,19,4479(2014)
Literature Reference DOI 10.3390/molecules19044479
Molecular Weight 458.378 g/mol
Solvent DMSO-D6
Source File Reference UWBT14532