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1,3,5-TRI-O-CAFFEOYL-QUINIC-ACID
SpectraBase Compound ID 8hvCiSpWdAH
InChI InChI=1S/C34H30O15/c35-21-7-1-18(13-24(21)38)4-10-29(41)47-27-16-34(33(45)46,49-31(43)12-6-20-3-9-23(37)26(40)15-20)17-28(32(27)44)48-30(42)11-5-19-2-8-22(36)25(39)14-19/h1-15,27-28,32,35-40,44H,16-17H2,(H,45,46)/b10-4+,11-5+,12-6+/t27-,28-,32-,34+/m0/s1
InChIKey MSKVJEAKVWAQTA-PTQGEPLWSA-N
Mol Weight 678.6 g/mol
Molecular Formula C34H30O15
Exact Mass 678.15847 g/mol
Enantiomer InChIKey MSKVJEAKVWAQTA-YOWOTECTSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CD3OD
Title Journal or Book Year
1,3,5-Tri-O-caffeoylquinic acid from Xanthium strumarium Phytochemistry 1993

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