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GALLOCATECHIN-7,3'-OR-7,4'-O-GALLATE
SpectraBase Compound ID HrH0hTCvSTu
InChI InChI=1S/C29H22O15/c30-15-7-13(42-28(40)11-2-16(31)24(37)17(32)3-11)8-22-14(15)9-21(36)27(43-22)10-1-20(35)26(39)23(6-10)44-29(41)12-4-18(33)25(38)19(34)5-12/h1-8,21,27,30-39H,9H2/t21-,27+/m0/s1
InChIKey KOBSSFMETRYISX-KDYSTLNUSA-N
Mol Weight 610.48 g/mol
Molecular Formula C29H22O15
Exact Mass 610.09587 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LqkOUGFqJN4
Name GALLOCATECHIN-7,3'-OR-7,4'-O-GALLATE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H22O15
InChI InChI=1S/C29H22O15/c30-15-7-13(42-28(40)11-2-16(31)24(37)17(32)3-11)8-22-14(15)9-21(36)27(43-22)10-1-20(35)26(39)23(6-10)44-29(41)12-4-18(33)25(38)19(34)5-12/h1-8,21,27,30-39H,9H2/t21-,27+/m0/s1
InChIKey KOBSSFMETRYISX-KDYSTLNUSA-N
Literature Reference Author M.W.LEE,S.MORIMOTO,G.I.NONAKA,I.NISHIOKA
Literature Reference Citation PHYTOCHEM.,31,2117(1992)
Literature Reference DOI 10.1016/0031-9422(92)80375-O
Molecular Weight 610.485 g/mol
Solvent ACETONE-D6
Source File Reference UWVN22150