Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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5-5, Dehydrodiferulic Acid

5_5_Dehydrodiferulic_Acid synonyms


Graphical representations:


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Molecular Formula: C20H18O8

Natural Isotopic Abundance Mass: 386.35212

Mono-Isotopic Molecular Masses:

  • C12N14: 386.1001675546
  • C13N14: 406.1672643106
  • C12N15: 386.1001675546
  • C13N15: 406.1672643106

InChI string: InChI=1S/C20H18O8/c1-27-15-9-11(3-5-17(21)22)7-13(19(15)25)14-8-12(4-6-18(23)24)10-16(28-2)20(14)26/h3-10,25-26H,1-2H3,(H,21,22)(H,23,24)/b5-3+,6-4+

USDA_NMR_database: 2056

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73,