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PROCYANIDIN-B-5-3'-O-GALLATE

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PROCYANIDIN-B-5-3'-O-GALLATE
SpectraBase Compound ID GHgZk5AcWFG
InChI InChI=1S/C37H30O16/c38-16-9-22(43)29-27(10-16)52-36(14-2-4-19(40)21(42)6-14)34(49)31(29)30-23(44)12-26-17(32(30)47)11-28(35(51-26)13-1-3-18(39)20(41)5-13)53-37(50)15-7-24(45)33(48)25(46)8-15/h1-10,12,28,31,34-36,38-49H,11H2/t28-,31-,34-,35-,36-/m1/s1
InChIKey DWTOBCBYINHWCP-DQUMCVOZSA-N
Mol Weight 730.6 g/mol
Molecular Formula C37H30O16
Exact Mass 730.153385 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID gmdlcQj7kW
Name PROCYANIDIN-B-5-3'-O-GALLATE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H30O16
InChI InChI=1S/C37H30O16/c38-16-9-22(43)29-27(10-16)52-36(14-2-4-19(40)21(42)6-14)34(49)31(29)30-23(44)12-26-17(32(30)47)11-28(35(51-26)13-1-3-18(39)20(41)5-13)53-37(50)15-7-24(45)33(48)25(46)8-15/h1-10,12,28,31,34-36,38-49H,11H2/t28-,31-,34-,35-,36-/m1/s1
InChIKey DWTOBCBYINHWCP-DQUMCVOZSA-N
Literature Reference Author J.N.WANG,Y.HANO,T.NOMURA,Y.J.CHEN
Literature Reference Citation PHYTOCHEM.,53,1097(2000)
Literature Reference DOI 10.1016/S0031-9422(00)00004-2
Molecular Weight 730.636 g/mol
Solvent ACETONE-D6
Source File Reference UWLU2324