Lignin_cw_compound_3028

Lignin_cw_compound_3028 bmse010352 - Data

Lignin_cw_compound_3028 synonyms

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

Wikipedia:

Graphical representations:

lignin_cw_compound_3028

View large 3D structure

Molecular Formula: C22H30O7

Natural Isotopic Abundance Mass: 406.4694

Mono-Isotopic Molecular Masses:

  • C12N14: 406.1991533177
  • C13N14: 428.2729597493
  • C12N15: 406.1991533177
  • C13N15: 428.2729597493

InChI string: InChI=1S/C22H30O7/c1-6-7-14-9-19(27-4)22(20(10-14)28-5)29-16(13-23)8-15-11-17(25-2)21(24)18(12-15)26-3/h9-12,16,23-24H,6-8,13H2,1-5H3/t16-/m0/s1

USDA_NMR_database: 3028

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)