Lignin_cw_compound_166

Lignin_cw_compound_166 bmse010518 - Data

Lignin_cw_compound_166 synonyms

1-(3,4-dimethoxyphenyl)-2-(4-hydroxyphenoxy)propan-1,3-diol

Wikipedia:

Graphical representations:

lignin_cw_compound_166

View large 3D structure

Molecular Formula: C17H20O6

Natural Isotopic Abundance Mass: 320.3371

Mono-Isotopic Molecular Masses:

  • C12N14: 320.1259883746
  • C13N14: 337.1830206172
  • C12N15: 320.1259883746
  • C13N15: 337.1830206172

InChI string: InChI=1/C17H20O6/c1-21-14-8-3-11(9-15(14)22-2)17(20)16(10-18)23-13-6-4-12(19)5-7-13/h3-9,16-20H,10H2,1-2H3

USDA_NMR_database: 166

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)