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_287 synonyms



Graphical representations:


View large 3D structure

Molecular Formula: C20H26O4

Natural Isotopic Abundance Mass: 330.41804

Mono-Isotopic Molecular Masses:

  • C12N14: 330.183109323
  • C13N14: 350.250206079
  • C12N15: 330.183109323
  • C13N15: 350.250206079

InChI string: InChI=1S/C20H26O4/c1-5-7-14-9-10-16(17(11-14)22-3)24-19-13-15(8-6-2)12-18(23-4)20(19)21/h9-13,21H,5-8H2,1-4H3

USDA_NMR_database: 287

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,