Lignin_cw_compound_34

Lignin_cw_compound_34 bmse010390 - Data

Lignin_cw_compound_34 synonyms

1-(3,4-dimethoxyphenyl)-2-[4-(1-hydroxyethyl)-2-methoxyphenoxy] propane-1,3-diol

Wikipedia:

Graphical representations:

lignin_cw_compound_34

View large 3D structure

Molecular Formula: C20H26O7

Natural Isotopic Abundance Mass: 378.41624

Mono-Isotopic Molecular Masses:

  • C12N14: 378.1678531893
  • C13N14: 398.2349499453
  • C12N15: 378.1678531893
  • C13N15: 398.2349499453

InChI string: InChI=1/C20H26O7/c1-12(22)13-5-8-16(18(9-13)26-4)27-19(11-21)20(23)14-6-7-15(24-2)17(10-14)25-3/h5-10,12,19-23H,11H2,1-4H3

USDA_NMR_database: 34

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)