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5-O-CAFFEOYL-4-O-VANILLOYLQUINIC_ACID_METHYLESTER

View entire compound with spectra: 1 NMR

5-O-CAFFEOYL-4-O-VANILLOYLQUINIC_ACID_METHYLESTER
SpectraBase Compound ID 75eXAVUDBj1
InChI InChI=1S/C25H26O12/c1-34-19-10-14(5-7-16(19)27)23(31)37-22-18(29)11-25(33,24(32)35-2)12-20(22)36-21(30)8-4-13-3-6-15(26)17(28)9-13/h3-10,18,20,22,26-29,33H,11-12H2,1-2H3/b8-4+/t18-,20-,22+,25-/m1/s1
InChIKey LNRHKFLASXKYMT-OPDKHMDCSA-N
Mol Weight 518.47 g/mol
Molecular Formula C25H26O12
Exact Mass 518.142426 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Y7KPilu6w4
Name 5-O-CAFFEOYL-4-O-VANILLOYLQUINIC_ACID_METHYLESTER
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H26O12
InChI InChI=1S/C25H26O12/c1-34-19-10-14(5-7-16(19)27)23(31)37-22-18(29)11-25(33,24(32)35-2)12-20(22)36-21(30)8-4-13-3-6-15(26)17(28)9-13/h3-10,18,20,22,26-29,33H,11-12H2,1-2H3/b8-4+/t18-,20-,22+,25-/m1/s1
InChIKey LNRHKFLASXKYMT-OPDKHMDCSA-N
Literature Reference Author S.SONG,Y.LI,Z.FENG,J.JIANG,P.ZHANG
Literature Reference Citation J.NAT.PROD.,73,177(2010)
Literature Reference DOI 10.1021/np900593q
Molecular Weight 518.474 g/mol
Sample ID 34444
Solvent DMSO-D6