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6,6'-DI-O-CAFFEOYLCATAPOL
SpectraBase Compound ID 5AZeecUtVUJ
InChI InChI=1S/C33H34O16/c34-14-33-25-17(29(30(33)49-33)47-24(40)8-4-16-2-6-19(36)21(38)12-16)9-10-44-31(25)48-32-28(43)27(42)26(41)22(46-32)13-45-23(39)7-3-15-1-5-18(35)20(37)11-15/h1-12,17,22,25-32,34-38,41-43H,13-14H2/b7-3+,8-4+/t17-,22+,25-,26+,27-,28+,29+,30+,31+,32-,33-/m1/s1
InChIKey XCBSVKAYBNIRSG-OVOQDLMKSA-N
Mol Weight 686.6 g/mol
Molecular Formula C33H34O16
Exact Mass 686.184685 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5KLpJjrtOXS
Name 6,6'-DI-O-CAFFEOYLCATAPOL
Compound Number 7F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H34O16
InChI InChI=1S/C33H34O16/c34-14-33-25-17(29(30(33)49-33)47-24(40)8-4-16-2-6-19(36)21(38)12-16)9-10-44-31(25)48-32-28(43)27(42)26(41)22(46-32)13-45-23(39)7-3-15-1-5-18(35)20(37)11-15/h1-12,17,22,25-32,34-38,41-43H,13-14H2/b7-3+,8-4+/t17-,22+,25-,26+,27-,28+,29+,30+,31+,32-,33-/m1/s1
InChIKey XCBSVKAYBNIRSG-OVOQDLMKSA-N
Literature Reference Author R.M.TASKOVA,T.KOKUBUN,K.G.RYAN,P.J.GARNOCK-JONES,S.R.JENSEN
Literature Reference Citation J.NAT.PROD.,74,1477(2011)
Literature Reference DOI 10.1021/np200233p
Molecular Weight 686.623 g/mol
Sample ID 38491
Solvent CD3OD