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CHLOROGENIC-ACID-METHYLESTER;3-O-(E)-CAFFEOYL-QUINIC-ACID-METHYLESTER

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CHLOROGENIC-ACID-METHYLESTER;3-O-(E)-CAFFEOYL-QUINIC-ACID-METHYLESTER
SpectraBase Compound ID 3kqJYlLXGrZ
InChI InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m0/s1
InChIKey MZNIJRAPCCELQX-LQMUPLJOSA-N
Mol Weight 368.34 g/mol
Molecular Formula C17H20O9
Exact Mass 368.110732 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FlPLca87nzi
Name METHYL-5-O-CAFFEOYL-QUINATE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H20O9
InChI InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m0/s1
InChIKey MZNIJRAPCCELQX-LQMUPLJOSA-N
Literature Reference Author L.C.LIN,L.L.YANG,C.J.CHOU
Literature Reference Citation J.CHIN.MED.,13,191(2002)
Molecular Weight 368.340 g/mol
Solvent CD3OD
Source File Reference UWBT16612