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3,5-DICAFFEOYL-QUINIC-ACID-METHYLESTER

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3,5-DICAFFEOYL-QUINIC-ACID-METHYLESTER
SpectraBase Compound ID C5SW94dL3YJ
InChI InChI=1S/C26H26O12/c1-36-25(34)26(35)12-20(37-22(31)8-4-14-2-6-16(27)18(29)10-14)24(33)21(13-26)38-23(32)9-5-15-3-7-17(28)19(30)11-15/h2-11,20-21,24,27-30,33,35H,12-13H2,1H3/b8-4+,9-5+/t20-,21-,24-,26+/m1/s1
InChIKey VEBNYMXKXIIGFX-VOHNXBSUSA-N
Mol Weight 530.48 g/mol
Molecular Formula C26H26O12
Exact Mass 530.142426 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CBbwNdldVQU
Name 3,5-DICAFFEOYL-QUINIC-ACID-METHYLESTER
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H26O12
InChI InChI=1S/C26H26O12/c1-36-25(34)26(35)12-20(37-22(31)8-4-14-2-6-16(27)18(29)10-14)24(33)21(13-26)38-23(32)9-5-15-3-7-17(28)19(30)11-15/h2-11,20-21,24,27-30,33,35H,12-13H2,1H3/b8-4+,9-5+/t20-,21-,24-,26+/m1/s1
InChIKey VEBNYMXKXIIGFX-VOHNXBSUSA-N
Literature Reference Author L.Y.PENG,S.X.MEI,B.JIANG,H.ZHOU,H.D.SUN
Literature Reference Citation FITOTERAPIA,71,713(2000)
Literature Reference DOI 10.1016/S0367-326X(00)00212-4
Molecular Weight 530.485 g/mol
Solvent DMSO-D6
Source File Reference UWVN3908