Lignin_cw_compound_2007

Lignin_cw_compound_2007 bmse010459 - Data

Lignin_cw_compound_2007 synonyms

1,4-bis-(4-hydroxy-3-methoxypheny)l-1,3-butadiene

Wikipedia:

Graphical representations:

lignin_cw_compound_2007

View large 3D structure

Molecular Formula: C18H18O4

Natural Isotopic Abundance Mass: 298.33312

Mono-Isotopic Molecular Masses:

  • C12N14: 298.1205090662
  • C13N14: 316.1808961466
  • C12N15: 298.1205090662
  • C13N15: 316.1808961466

InChI string: InChI=1S/C18H18O4/c1-21-17-11-13(7-9-15(17)19)5-3-4-6-14-8-10-16(20)18(12-14)22-2/h3-12,19-20H,1-2H3/b5-3+,6-4+

USDA_NMR_database: 2007

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)