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7-O-(4''-O-GLUCOPYRANOSYL)-COUMAROYL-LOGANIC-ACID;4''-O-GLUCOPYRANOSYL-LINEAROSIDE
SpectraBase Compound ID 81g1hXkHxAQ
InChI InChI=1S/C31H40O17/c1-12-17(8-15-16(28(41)42)11-43-29(21(12)15)48-31-27(40)25(38)23(36)19(10-33)47-31)45-20(34)7-4-13-2-5-14(6-3-13)44-30-26(39)24(37)22(35)18(9-32)46-30/h2-7,11-12,15,17-19,21-27,29-33,35-40H,8-10H2,1H3,(H,41,42)/b7-4+/t12-,15+,17-,18+,19-,21+,22+,23-,24-,25+,26+,27-,29-,30+,31+/m0/s1
InChIKey IZDNHCQZHNEUGA-CPYYWGBYSA-N
Mol Weight 684.6 g/mol
Molecular Formula C31H40O17
Exact Mass 684.22655 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4sUwCpBM81j
Name 7-O-(4''-O-GLUCOPYRANOSYL)-COUMAROYL-LOGANIC-ACID;4''-O-GLUCOPYRANOSYL-LINEAROSIDE
Compound Number 157
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H40O17
InChI InChI=1S/C31H40O17/c1-12-17(8-15-16(28(41)42)11-43-29(21(12)15)48-31-27(40)25(38)23(36)19(10-33)47-31)45-20(34)7-4-13-2-5-14(6-3-13)44-30-26(39)24(37)22(35)18(9-32)46-30/h2-7,11-12,15,17-19,21-27,29-33,35-40H,8-10H2,1H3,(H,41,42)/b7-4+/t12-,15+,17-,18+,19-,21+,22+,23-,24-,25+,26+,27-,29-,30+,31+/m0/s1
InChIKey IZDNHCQZHNEUGA-CPYYWGBYSA-N
Literature Reference Author B.DINDA,S.DEBNATH,Y.HARIGAYA
Literature Reference Citation CHEM.PHARM.BULL.,55,159(2007)
Literature Reference DOI 10.1248/cpb.55.159
Molecular Weight 684.648 g/mol
Sample ID 37953
Solvent CD3OD