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1-O-(E)-COUMAROYL-3-GALLOYL-4,6-(S)-HEXAHYDROXY-DIPHENYL-BETA-D-GLUCOPYRANOSIDE

View entire compound with spectra: 1 NMR

1-O-(E)-COUMAROYL-3-GALLOYL-4,6-(S)-HEXAHYDROXY-DIPHENYL-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 1XkgRpJHb7L
InChI InChI=1S/C36H28O20/c37-14-4-1-12(2-5-14)3-6-22(42)54-36-30(48)32(56-33(49)13-7-17(38)25(43)18(39)8-13)31-21(53-36)11-52-34(50)15-9-19(40)26(44)28(46)23(15)24-16(35(51)55-31)10-20(41)27(45)29(24)47/h1-10,21,30-32,36-41,43-48H,11H2/b6-3+/t21-,30-,31-,32-,36+/m1/s1
InChIKey WGTCGJITGVEFIQ-YHSXRLFDSA-N
Mol Weight 780.6 g/mol
Molecular Formula C36H28O20
Exact Mass 780.117393 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LSxZV3wlobE
Name 1-O-(E)-COUMAROYL-3-GALLOYL-4,6-(S)-HEXAHYDROXY-DIPHENYL-BETA-D-GLUCOPYRANOSIDE
Compound Number 21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H28O20
InChI InChI=1S/C36H28O20/c37-14-4-1-12(2-5-14)3-6-22(42)54-36-30(48)32(56-33(49)13-7-17(38)25(43)18(39)8-13)31-21(53-36)11-52-34(50)15-9-19(40)26(44)28(46)23(15)24-16(35(51)55-31)10-20(41)27(45)29(24)47/h1-10,21,30-32,36-41,43-48H,11H2/b6-3+/t21-,30-,31-,32-,36+/m1/s1
InChIKey WGTCGJITGVEFIQ-YHSXRLFDSA-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 780.606 g/mol
Sample ID 3169
Solvent CD3OD