Lignin_cw_compound_3

Lignin_cw_compound_3 bmse010385 - Data

Lignin_cw_compound_3 synonyms

Veratrylglycerol-B-guaiacyl ether diacetate; 1,3-diacetoxy-1-(3,4-dimethoxyphenyl)-2-(2-methoxyphenoxy)propane

Wikipedia:

Graphical representations:

lignin_cw_compound_3

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

USDA_NMR_database: 3

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)