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1,3,5-TRI-O-CAFFEOYL-QUINIC-ACID

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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6hqSjRhbgXA
Name 1,3,5-TRI-O-CAFFEOYL-QUINIC-ACID
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H30O15
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
Literature Reference Author I.AGATA,S.GOTO,T.HATANO,S.NISHIBE,T.OKUDA
Literature Reference Citation PHYTOCHEM.,33,508(1993)
Literature Reference DOI 10.1016/0031-9422(93)85551-2
Molecular Weight 678.603 g/mol
Solvent CD3OD
Source File Reference UWVN6467