Lignin_cw_compound_218

Lignin_cw_compound_218 bmse010145 - Data

Lignin_cw_compound_218 synonyms

Acetic acid 3-(4-acetoxy-3-methoxyphenyl)-2-[2,6-dimethoxyphenoxy] propyl ester

Wikipedia:

Graphical representations:

lignin_cw_compound_218

View large 3D structure

Molecular Formula: C22H26O8

Natural Isotopic Abundance Mass: 418.43704

Mono-Isotopic Molecular Masses:

  • C12N14: 418.1627678114
  • C13N14: 440.236574243
  • C12N15: 418.1627678114
  • C13N15: 440.236574243

InChI string: InChI=1S/C22H26O8/c1-14(23)28-13-17(30-22-19(25-3)7-6-8-20(22)26-4)11-16-9-10-18(29-15(2)24)21(12-16)27-5/h6-10,12,17H,11,13H2,1-5H3/t17-/m1/s1

USDA_NMR_database: 218

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)