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Chlorogenic acid [3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid]

Compound with spectra: 1 NMR, and 3 MS (GC)

Chlorogenic acid [3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid]
SpectraBase Compound ID 4XAhWXawdLQ
InChI InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+
InChIKey CWVRJTMFETXNAD-DUXPYHPUSA-N
Mol Weight 354.31 g/mol
Molecular Formula C16H18O9
Exact Mass 354.095082 g/mol

View Spectrum of Chlorogenic acid [3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid]

1H NMR Spectrum
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
Solvent DMSO-d6

View Spectrum of Chlorogenic acid [3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid]

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum KO-1-46-11

View Spectrum of Chlorogenic acid [3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid]

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum JC-394-46-0

View Spectrum of Chlorogenic acid [3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid]

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum Y1-38-1010-0
  • cyclohexanecarboxylic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, (1S,3R,4R,5R)-
5-Caffeoylquinic acid
Chlorogenic acid
3-CAFFEOYL-MUCO-QUINIC-ACID;1S-3-BETA-O-TRANS-CAFFEOYL-1-ALPHA,4-ALPHA,5-BETA-TRIHYDROXYCYCLOHEXANE-1-CARBOXYLIC-ACID
Chlorogenic acid, anion
CHLOROGENIC-ACID;5'-CAFFEOYL-QUINIC-ACID
Chlorogenic acid
Chlorogenic acid
3-O-CAFFEOYLQUINICO-ACID
3-BETA-O-TRANS-CAFFEOYL-1,4,5-TRIHYDROXYCYCLOHEXANE-1-CARBOXYLIC-ACID
(1-alpha,3-beta,4-beta,5-beta)-1,4-Bis{[(2E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-en-1-yl]oxy}-3,5-dihydroxycyclohexanecarboxylic Acid
2,4/3,5-DICAFFEOYL-GLUCARIC-ACID
1,3-Benzodioxole-5-carboxylic acid, hexahydro-5,7-dihydroxy-2,2-dimethyl-, [3aR-(3a.alpha.,5.beta.,7.alpha.,8a.alpha.)]-
BREVIPOLIDE_D
PARA-HYDROXYPHENYL-6-O-TRANS-CAFFEOYL-BETA-D-GLUCOPYRANOSIDE
DUNALIANOSIDE-A;PARA-HYDROXYPHENYL-6'-O-CIS-CAFFEOYL-BETA-D-GLUCOPYRANOSIDE
Other Resources
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