Lignin_cw_compound_3030

Lignin_cw_compound_3030 bmse010505 - Data

Lignin_cw_compound_3030 synonyms

beta-[5-(2-formylvinyl)-2-hydroxy-3-methoxyphenyl]coniferyl aldehyde

Wikipedia:

Graphical representations:

lignin_cw_compound_3030

View large 3D structure

Molecular Formula: C20H18O6

Natural Isotopic Abundance Mass: 354.35332

Mono-Isotopic Molecular Masses:

  • C12N14: 354.1103383104
  • C13N14: 374.1774350664
  • C12N15: 354.1103383104
  • C13N15: 374.1774350664

InChI string: InChI=1/C20H18O6/c1-25-18-10-14(5-6-17(18)23)8-15(12-22)16-9-13(4-3-7-21)11-19(26-2)20(16)24/h3-12,23-24H,1-2H3/b4-3+,15-8-

USDA_NMR_database: 3030

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)