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1-O-(E)-COUMAROYL-3,4,6-TRIGALLOYL-BETA-D-GLUCOPYRANOSIDE

View entire compound with spectra: 1 NMR

1-O-(E)-COUMAROYL-3,4,6-TRIGALLOYL-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 46W0Mp4fubk
InChI InChI=1S/C36H30O20/c37-18-4-1-14(2-5-18)3-6-26(44)54-36-30(48)32(56-35(51)17-11-23(42)29(47)24(43)12-17)31(55-34(50)16-9-21(40)28(46)22(41)10-16)25(53-36)13-52-33(49)15-7-19(38)27(45)20(39)8-15/h1-12,25,30-32,36-43,45-48H,13H2/b6-3+/t25-,30-,31-,32-,36+/m1/s1
InChIKey PPMZVDMMGXUMHL-FPHPQQKRSA-N
Mol Weight 782.6 g/mol
Molecular Formula C36H30O20
Exact Mass 782.133043 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EzWUqhWWqfZ
Name 1-O-(E)-COUMAROYL-3,4,6-TRIGALLOYL-BETA-D-GLUCOPYRANOSIDE
Compound Number 22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H30O20
InChI InChI=1S/C36H30O20/c37-18-4-1-14(2-5-18)3-6-26(44)54-36-30(48)32(56-35(51)17-11-23(42)29(47)24(43)12-17)31(55-34(50)16-9-21(40)28(46)22(41)10-16)25(53-36)13-52-33(49)15-7-19(38)27(45)20(39)8-15/h1-12,25,30-32,36-43,45-48H,13H2/b6-3+/t25-,30-,31-,32-,36+/m1/s1
InChIKey PPMZVDMMGXUMHL-FPHPQQKRSA-N
Literature Reference Author N.PANTHAMA,S.KANOMEDHAKUL,K.KANOKMEDHAKUL
Literature Reference Citation CHEM.PHARM.BULL.,57,1352(2009)
Literature Reference DOI 10.1248/cpb.57.1352
Molecular Weight 782.622 g/mol
Sample ID 3170
Solvent CD3OD