Lignin_cw_compound_3019

Lignin_cw_compound_3019 bmse010344 - Data

Lignin_cw_compound_3019 synonyms

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

Wikipedia:

Graphical representations:

lignin_cw_compound_3019

View large 3D structure

Molecular Formula: C30H30O9

Natural Isotopic Abundance Mass: 534.5538

Mono-Isotopic Molecular Masses:

  • C12N14: 534.1889825619
  • C13N14: 564.2896276959
  • C12N15: 534.1889825619
  • C13N15: 564.2896276959

InChI string: InChI=1S/C30H30O9/c1-35-26-18-22(10-15-25(26)32)30(39-24-13-6-21(7-14-24)9-17-29(34)37-3)27(19-31)38-23-11-4-20(5-12-23)8-16-28(33)36-2/h4-18,27,30-32H,19H2,1-3H3/b16-8+,17-9+/t27-,30-/m1/s1

USDA_NMR_database: 3019

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)