3-O-Caffeoylquinic acid methyl ester

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Names

[ CAS No. ]:
123483-19-2

[ Name ]:
3-O-Caffeoylquinic acid methyl ester

[Synonym ]:
Methyl (1S,3R,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}-1,4,5-trihydroxycyclohexanecarboxylate
Chlorogenic acid methyl ester, Methyl (1S,3R,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}-1,4,5-trihydroxycyclohexanecarboxylate
Methyl (1S,3R,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexanecarboxylate
E6GC3KV7JK
Methyl chlorogenate
Cyclohexanecarboxylic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,4,5-trihydroxy-, methyl ester, (1S,3R,4R,5R)-

Chemical & Physical Properties

[ Density]:
1.5±0.1 g/cm3

[ Boiling Point ]:
577.0±50.0 °C at 760 mmHg

[ Molecular Formula ]:
C17H20O9

[ Molecular Weight ]:
368.335

[ Flash Point ]:
208.1±23.6 °C

[ Exact Mass ]:
368.110718

[ LogP ]:
0.31

[ Vapour Pressure ]:
0.0±1.7 mmHg at 25°C

[ Index of Refraction ]:
1.646

Related Compounds

  • 3,4-Di-O-caffeoylquinic acid methyl ester
  • 3,5-Di-O-caffeoylquinic acid methyl ester
  • 4,5-Di-O-caffeoylquinic acid methyl ester
  • 3-[o-[(Trimethylsilyl)oxy]phenyl]propenoic acid methyl ester
  • 3-(o-N-Methylcarbamoyloxyphenyl)buttersaeuremethylester
  • 3-O,4-O,5-O,6-O-Tetraacetyl-2-deoxy-D-arabino-hexonic acid methyl ester
  • 3-{N-benzyl-1-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cycloheptyl]formamido}propanoic acid
  • 2-{2-[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-methylbutanamido]cyclopentyl}acetic acid
  • 2-{2-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)pentanamido]cyclopentyl}acetic acid
  • 4-{2-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclopentyl]acetamido}-2,2-dimethylbutanoic acid
  • 3-ethyl-1-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclobutanecarbonyl]piperidine-3-carboxylic acid
  • 3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-[2-(methoxymethyl)pyrrolidin-1-yl]-4-oxobutanoic acid
  • 3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-{methyl[(4-methyl-1H-imidazol-2-yl)methyl]carbamoyl}propanoic acid
  • 2-(2-{3-[benzyl(methyl)amino]-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanamido}ethoxy)acetic acid
  • 3-[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-methylbut-2-enamido]-5,5-dimethylhexanoic acid
  • 3-{2-[2-(cyclopropylmethyl)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanamido]ethoxy}propanoic acid
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