Lignin_cw_compound_134

Lignin_cw_compound_134 bmse010069 - Data

Lignin_cw_compound_134 synonyms

1-(4-Hydroxy-3-methoxyphenyl)-2-[4-(1-hydroxyethyl)-2,6-dimethoxyphenoxy]propane-1,3-diol

Wikipedia:

Graphical representations:

lignin_cw_compound_134

View large 3D structure

Molecular Formula: C20H26O8

Natural Isotopic Abundance Mass: 394.41564

Mono-Isotopic Molecular Masses:

  • C12N14: 394.1627678114
  • C13N14: 414.2298645674
  • C12N15: 394.1627678114
  • C13N15: 414.2298645674

InChI string: InChI=1S/C20H26O8/c1-11(22)13-8-16(26-3)20(17(9-13)27-4)28-18(10-21)19(24)12-5-6-14(23)15(7-12)25-2/h5-9,11,18-19,21-24H,10H2,1-4H3/t11-,18+,19+/m0/s1

USDA_NMR_database: 134

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)