Lignin_cw_compound_2021

Lignin_cw_compound_2021 bmse010465 - Data

Lignin_cw_compound_2021 synonyms

3-[2-(4-Hydroxy-3-methoxyphenyl)-3-hydroxymethyl-7-methoxy-2,3-dihydrobenzofuran-5-yl] prop-2-enal

Wikipedia:

Graphical representations:

lignin_cw_compound_2021

View large 3D structure

Molecular Formula: C20H20O6

Natural Isotopic Abundance Mass: 356.3692

Mono-Isotopic Molecular Masses:

  • C12N14: 356.1259883746
  • C13N14: 376.1930851306
  • C12N15: 356.1259883746
  • C13N15: 376.1930851306

InChI string: InChI=1S/C20H20O6/c1-24-17-10-13(5-6-16(17)23)19-15(11-22)14-8-12(4-3-7-21)9-18(25-2)20(14)26-19/h3-10,15,19,22-23H,11H2,1-2H3/b4-3+/t15-,19+/m0/s1

USDA_NMR_database: 2021

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)