Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Lignin_cw_compound_288 synonyms



Graphical representations:


View large 3D structure

Molecular Formula: C22H28O5

Natural Isotopic Abundance Mass: 372.45472

Mono-Isotopic Molecular Masses:

  • C12N14: 372.1936740093
  • C13N14: 394.2674804409
  • C12N15: 372.1936740093
  • C13N15: 394.2674804409

InChI string: InChI=1S/C22H28O5/c1-6-8-16-10-11-18(19(12-16)24-4)27-21-14-17(9-7-2)13-20(25-5)22(21)26-15(3)23/h10-14H,6-9H2,1-5H3

USDA_NMR_database: 288

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,