Lignin_cw_compound_2008

Lignin_cw_compound_2008 bmse010290 - Data

Lignin_cw_compound_2008 synonyms

dilactone from ferulic acid; 3,6-Bis-(4-hydroxy-3-methoxyphenyl) tetrahydrofuro [3,4-c] furan-1,4-dione

Wikipedia:

Graphical representations:

lignin_cw_compound_2008

View large 3D structure

Molecular Formula: C20H18O8

Natural Isotopic Abundance Mass: 386.35212

Mono-Isotopic Molecular Masses:

  • C12N14: 386.1001675546
  • C13N14: 406.1672643106
  • C12N15: 386.1001675546
  • C13N15: 406.1672643106

InChI string: InChI=1/C20H18O8/c1-25-13-7-9(3-5-11(13)21)17-15-16(20(24)27-17)18(28-19(15)23)10-4-6-12(22)14(8-10)26-2/h3-8,15-18,21-22H,1-2H3

USDA_NMR_database: 2008

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)