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1,5-DI-O-CAFFEOYL-QUINIC-ACID

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1,5-DI-O-CAFFEOYL-QUINIC-ACID
SpectraBase Compound ID I3HVyUJ1GnL
InChI InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23-,25+/m0/s1
InChIKey YDDUMTOHNYZQPO-ZSGFIFMUSA-N
Mol Weight 516.46 g/mol
Molecular Formula C25H24O12
Exact Mass 516.126776 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8UO9qyNh39i
Name 1,5-DI-O-CAFFEOYL-QUINIC-ACID
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H24O12
InChI InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23-,25+/m0/s1
InChIKey YDDUMTOHNYZQPO-ZSGFIFMUSA-N
Literature Reference Author A.CARNAT,A.HEITZ,D.FRAISSE,A.P.CARNAT,J.L.LAMAISON
Literature Reference Citation FITOTERAPIA,71,587(2000)
Literature Reference DOI 10.1016/S0367-326X(00)00163-5
Molecular Weight 516.458 g/mol
Solvent DMSO-D6
Source File Reference UWVN3866