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

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1-O-(E)-CAFFEOYL-3,4,6-TRIGALLOYL-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID JNjwndVZknH
InChI InChI=1S/C36H30O21/c37-17-3-1-13(5-18(17)38)2-4-26(45)55-36-30(49)32(57-35(52)16-10-23(43)29(48)24(44)11-16)31(56-34(51)15-8-21(41)28(47)22(42)9-15)25(54-36)12-53-33(50)14-6-19(39)27(46)20(40)7-14/h1-11,25,30-32,36-44,46-49H,12H2/b4-2+/t25-,30-,31-,32-,36+/m1/s1
InChIKey LELLWAXPKYTWRB-RDAUDDROSA-N
Mol Weight 798.6 g/mol
Molecular Formula C36H30O21
Exact Mass 798.127958 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EuX82tKeJhh
Name 1-O-(E)-CAFFEOYL-3,4,6-TRIGALLOYL-BETA-D-GLUCOPYRANOSIDE
Compound Number 23
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H30O21
InChI InChI=1S/C36H30O21/c37-17-3-1-13(5-18(17)38)2-4-26(45)55-36-30(49)32(57-35(52)16-10-23(43)29(48)24(44)11-16)31(56-34(51)15-8-21(41)28(47)22(42)9-15)25(54-36)12-53-33(50)14-6-19(39)27(46)20(40)7-14/h1-11,25,30-32,36-44,46-49H,12H2/b4-2+/t25-,30-,31-,32-,36+/m1/s1
InChIKey LELLWAXPKYTWRB-RDAUDDROSA-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 798.622 g/mol
Sample ID 3171
Solvent CD3OD