3-caffeoyl-4-sinapoylquinic acid

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Names

[ CAS No. ]:
110241-35-5

[ Name ]:
3-caffeoyl-4-sinapoylquinic acid

[Synonym ]:
3-Csqa
3-Caffeoyl-4-sinapoylquinic acid
Cyclohexanecarboxylic acid,3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,5-dihydroxy-4-((3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl)oxy)-,(1S-(1alpha,3beta(E),4alpha(E),5alpha))
3-O-caffeoyl-4-O-sinapoylquinic acid

Chemical & Physical Properties

[ Density]:
1.55g/cm3

[ Boiling Point ]:
801.5ºC at 760mmHg

[ Molecular Formula ]:
C27H28O13

[ Molecular Weight ]:
560.50300

[ Flash Point ]:
265.2ºC

[ Exact Mass ]:
560.15300

[ PSA ]:
209.51000

[ LogP ]:
1.34120

[ Vapour Pressure ]:
4.14E-27mmHg at 25°C

[ Index of Refraction ]:
1.673

Related Compounds

  • 4-O-feruloyl-5-O-caffeoylquinic acid
  • 4-O-p-coumaroyl-5-O-caffeoylquinic acid
  • 3-O-caffeoyl-4-O-p-coumaroylquinic acid
  • 3,5-di-O-caffeoyl-4-O-(3-hydroxy-3-methyl)glutaroylquinic acid
  • 3-(4-hydroxyphenyl)sulfanylbutanoic acid
  • 3,4,5-Trimethoxybenzoic acid 4-[ethyl(3,4,5-trimethoxy-α-methylphenethyl)amino]butyl ester