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4,5-DI-O-CAFFEOYL-QUINIC-ACID-BUTYLESTER

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4,5-DI-O-CAFFEOYL-QUINIC-ACID-BUTYLESTER
SpectraBase Compound ID KYcPDWr4dEM
InChI InChI=1S/C29H32O12/c1-2-3-12-39-28(37)29(38)15-23(34)27(41-26(36)11-7-18-5-9-20(31)22(33)14-18)24(16-29)40-25(35)10-6-17-4-8-19(30)21(32)13-17/h4-11,13-14,23-24,27,30-34,38H,2-3,12,15-16H2,1H3/b10-6+,11-7+/t23-,24-,27-,29+/m0/s1
InChIKey QDOLLBRJZCDKGH-UBVWIDQVSA-N
Mol Weight 572.6 g/mol
Molecular Formula C29H32O12
Exact Mass 572.189376 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ccfSdeAQkY
Name 4,5-DI-O-CAFFEOYL-QUINIC-ACID-BUTYLESTER
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H32O12
InChI InChI=1S/C29H32O12/c1-2-3-12-39-28(37)29(38)15-23(34)27(41-26(36)11-7-18-5-9-20(31)22(33)14-18)24(16-29)40-25(35)10-6-17-4-8-19(30)21(32)13-17/h4-11,13-14,23-24,27,30-34,38H,2-3,12,15-16H2,1H3/b10-6+,11-7+/t23-,24-,27-,29+/m0/s1
InChIKey QDOLLBRJZCDKGH-UBVWIDQVSA-N
Literature Reference Author B.H.UM,M.POLAT,A.LOBSTEIN,B.WENIGER,P.ARAGON,L.DECLERCQ,R.AN TON
Literature Reference Citation FITOTERAPIA,73,550(2002)
Literature Reference DOI 10.1016/S0367-326X(02)00181-8
Molecular Weight 572.566 g/mol
Solvent CD3OD
Source File Reference UWVN4164