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METHYL-3-O-(4''-HYDROXY-3'',5''-DIMETHOXYBENZOYL)-CHLOROGENATE

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METHYL-3-O-(4''-HYDROXY-3'',5''-DIMETHOXYBENZOYL)-CHLOROGENATE
SpectraBase Compound ID 20kkSqJrM0H
InChI InChI=1S/C26H28O13/c1-35-17-9-14(10-18(36-2)22(17)30)24(32)39-20-12-26(34,25(33)37-3)11-19(23(20)31)38-21(29)7-5-13-4-6-15(27)16(28)8-13/h4-10,19-20,23,27-28,30-31,34H,11-12H2,1-3H3/b7-5+/t19-,20-,23+,26-/m1/s1
InChIKey NWWCLZKEDYNQPO-IULRCBAISA-N
Mol Weight 548.5 g/mol
Molecular Formula C26H28O13
Exact Mass 548.152991 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JFtSsHJxU7s
Name METHYL-3-O-(4''-HYDROXY-3'',5''-DIMETHOXYBENZOYL)-CHLOROGENATE
Compound Number 4
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H28O13
InChI InChI=1S/C26H28O13/c1-35-17-9-14(10-18(36-2)22(17)30)24(32)39-20-12-26(34,25(33)37-3)11-19(23(20)31)38-21(29)7-5-13-4-6-15(27)16(28)8-13/h4-10,19-20,23,27-28,30-31,34H,11-12H2,1-3H3/b7-5+/t19-,20-,23+,26-/m1/s1
InChIKey NWWCLZKEDYNQPO-IULRCBAISA-N
Literature Reference Author J.LIU,Z.FENG,J.XU,Y.WANG,P.ZHANG
Literature Reference Citation PHYTOCHEM.,68,1775(2007)
Literature Reference DOI 10.1016/j.phytochem.2007.05.001
Molecular Weight 548.501 g/mol
Sample ID 42701
Solvent DMSO-D6