Lignin_cw_compound_3027

Lignin_cw_compound_3027 bmse010351 - Data

Lignin_cw_compound_3027 synonyms

3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(2-methoxy-4-propylphenoxy)propan-1-ol

Wikipedia:

Graphical representations:

lignin_cw_compound_3027

View large 3D structure

Molecular Formula: C21H28O6

Natural Isotopic Abundance Mass: 376.44342

Mono-Isotopic Molecular Masses:

  • C12N14: 376.1885886314
  • C13N14: 397.2590402252
  • C12N15: 376.1885886314
  • C13N15: 397.2590402252

InChI string: InChI=1S/C21H28O6/c1-5-6-14-7-8-17(18(10-14)24-2)27-16(13-22)9-15-11-19(25-3)21(23)20(12-15)26-4/h7-8,10-12,16,22-23H,5-6,9,13H2,1-4H3/t16-/m1/s1

USDA_NMR_database: 3027

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)