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METHYL-3,6-DI-O-GALLOYL-ALPHA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 5fSA4pv8p4I
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-GXQAHVQNSA-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 31GhiJapE5N
Name METHYL-3,6-DI-O-GALLOYL-ALPHA-D-GLUCOPYRANOSIDE
Compound Number 9
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-GXQAHVQNSA-N
Literature Reference Author C.W.LI,H.J.DONG,C.B.CUI
Literature Reference Citation MOLECULES,20,2034(2015)
Literature Reference DOI 10.3390/molecules20022034
Molecular Weight 498.397 g/mol
Solvent CD3OD
Source File Reference UWPA2107