Lignin_cw_compound_31

Lignin_cw_compound_31 bmse010387 - Data

Lignin_cw_compound_31 synonyms

1-(3,4-Dimethoxyphenyl)-2-[4-(1-hydroxyethyl) phenoxy] propane-1,3-diol

Wikipedia:

Graphical representations:

lignin_cw_compound_31

View large 3D structure

Molecular Formula: C19H24O6

Natural Isotopic Abundance Mass: 348.39026

Mono-Isotopic Molecular Masses:

  • C12N14: 348.157288503
  • C13N14: 367.2210304212
  • C12N15: 348.157288503
  • C13N15: 367.2210304212

InChI string: InChI=1S/C19H24O6/c1-12(21)13-4-7-15(8-5-13)25-18(11-20)19(22)14-6-9-16(23-2)17(10-14)24-3/h4-10,12,18-22H,11H2,1-3H3/t12-,18-,19-/m0/s1

USDA_NMR_database: 31

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)