Lignin_cw_compound_3021

Lignin_cw_compound_3021 bmse010346 - Data

Lignin_cw_compound_3021 synonyms

3-(4-{3-carboxyoxy-1-(3,4-dimethoxyphenyl)-2-[4-(2-methoxy carbonylvinyl)phenoxy]propoxy}phenyl)acrylic acid methyl ester

Wikipedia:

Graphical representations:

lignin_cw_compound_3021

View large 3D structure

Molecular Formula: C33H34O10

Natural Isotopic Abundance Mass: 590.61706

Mono-Isotopic Molecular Masses:

  • C12N14: 590.2151973124
  • C13N14: 623.3259069598
  • C12N15: 590.2151973124
  • C13N15: 623.3259069598

InChI string: InChI=1S/C33H34O10/c1-22(34)41-21-30(42-26-13-6-23(7-14-26)10-18-31(35)39-4)33(25-12-17-28(37-2)29(20-25)38-3)43-27-15-8-24(9-16-27)11-19-32(36)40-5/h6-20,30,33H,21H2,1-5H3/b18-10+,19-11+/t30-,33-/m1/s1

USDA_NMR_database: 3021

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)