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110241-35-5 3-caffeoyl-4-sinapoylquinic acid

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Product Name 3-caffeoyl-4-sinapoylquinic acid
CAS No. 110241-35-5
Synonyms 3-Caffeoyl-4-sinapoylquinic acid; 3-Csqa; 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))-; (1S,3S,4S,5S)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,5-dihydroxy-4-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}cyclohexanecarboxylic acid
InChI InChI=1/C27H28O13/c1-37-19-10-15(11-20(38-2)24(19)33)5-8-23(32)40-25-18(30)12-27(36,26(34)35)13-21(25)39-22(31)7-4-14-3-6-16(28)17(29)9-14/h3-11,18,21,25,28-30,33,36H,12-13H2,1-2H3,(H,34,35)/b7-4+,8-5+/t18-,21-,25-,27-/m0/s1
Molecular Formula C27H28O13
Molecular Weight 560.5034
Density 1.55g/cm3
Boiling point 801.5°C at 760 mmHg
Flash point 265.2°C
Refractive index 1.673