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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 KymvrYbXahI
Name 3,5-DI-O-CAFFEOYL-QUINIC-ACID-METHYLESTER
Compound Number 9
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 H.LIU,X.ZHANG,C.WU,H.WU,P.GUO,X.XU
Literature Reference Citation J.APPL.PHARM.SCI.,3,16(2013)
Molecular Weight 530.485 g/mol
Source File Reference UWIR6829