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METHYL-3,6-DI-O-GALLOYL-BETA-D-GLUCOPYRANOSIDE

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METHYL-3,6-DI-O-GALLOYL-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID H7yIS7qgYAh
InChI InChI=1S/C21H22O14/c1-32-21-17(29)18(35-20(31)8-4-11(24)15(27)12(25)5-8)16(28)13(34-21)6-33-19(30)7-2-9(22)14(26)10(23)3-7/h2-5,13,16-18,21-29H,6H2,1H3/t13-,16-,17-,18+,21-/m0/s1
InChIKey AVJBTAIWULIMFT-VEPAJOOPSA-N
Mol Weight 498.39 g/mol
Molecular Formula C21H22O14
Exact Mass 498.100955 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9QMUbdjyOri
Name METHYL-3,6-DI-O-GALLOYL-BETA-D-GLUCOPYRANOSIDE
Compound Number 28
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22O14
InChI InChI=1S/C21H22O14/c1-32-21-17(29)18(35-20(31)8-4-11(24)15(27)12(25)5-8)16(28)13(34-21)6-33-19(30)7-2-9(22)14(26)10(23)3-7/h2-5,13,16-18,21-29H,6H2,1H3/t13-,16-,17-,18+,21-/m0/s1
InChIKey AVJBTAIWULIMFT-VEPAJOOPSA-N
Literature Reference Author T.C.LIN,F.L.HSU
Literature Reference Citation J.CHIN.CHEM.SOC.,46,613(1999)
Literature Reference DOI 10.1002/jccs.199900085
Molecular Weight 498.397 g/mol
Solvent ACETONE-D6:D2O
Source File Reference UWMS5016