3-caffeoyl-4-sinapoylquinic acid

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Names

[ 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
1-(3-butoxyphenyl)-4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-imino-2,5-dihydro-1H-pyrrol-3-ol
methyl 4-[5-amino-3-oxo-4-(4-phenyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-pyrrol-1-yl]benzoate
4-Bromoquinoline-6,7-diol
1-{3-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-4-hydroxy-2-imino-2,5-dihydro-1H-pyrrol-1-yl]propyl}pyrrolidin-2-one
5-[2,4-Dihydroxy-6-(4-nitrophenoxy)phenyl]-N-(4-piperidinylmethyl)-3-isoxazolecarboxamide
4-Bromo-3-chloro-N-(2-fluoroethyl)benzamide
3-Fluoro-2-nitro-5-(trifluoromethyl)aniline
2,2,2-trifluoro-N-[(4-methylpiperidin-3-yl)methyl]acetamide
5-Boc-N-(3-bromo-2-chlorophenyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamide
2-(N-(2-(Benzo[d]thiazole-2-sulfonamido)ethyl)-2-(2-((((3,4-dimethoxybenzyl)oxy)carbonyl)amino)-6-oxo-3H-purin-9(6H)-yl)acetamido)acetic acid

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