Lignin_cw_compound_286

Lignin_cw_compound_286 bmse010193 - Data

Lignin_cw_compound_286 synonyms

Unnamed

Wikipedia:

Graphical representations:

lignin_cw_compound_286

View large 3D structure

Molecular Formula: C21H28O4

Natural Isotopic Abundance Mass: 344.44462

Mono-Isotopic Molecular Masses:

  • C12N14: 344.1987593872
  • C13N14: 365.269210981
  • C12N15: 344.1987593872
  • C13N15: 365.269210981

InChI string: InChI=1S/C21H28O4/c1-6-8-15-10-11-17(18(12-15)22-3)25-20-14-16(9-7-2)13-19(23-4)21(20)24-5/h10-14H,6-9H2,1-5H3

USDA_NMR_database: 286

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, https://www.nature.com/articles/sdata201773)