Lignin_cw_compound_1001

Lignin_cw_compound_1001 bmse010034 - Data

Lignin_cw_compound_1001 synonyms

3-(4-Hydroxyphenyl)acrylic acid3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propyl ester

Wikipedia:

Graphical representations:

lignin_cw_compound_1001

View large 3D structure

Molecular Formula: C26H26O8

Natural Isotopic Abundance Mass: 466.47984

Mono-Isotopic Molecular Masses:

  • C12N14: 466.1627678114
  • C13N14: 492.2499935942
  • C12N15: 466.1627678114
  • C13N15: 492.2499935942

InChI string: InChI=1/C26H26O8/c1-31-21-5-3-4-6-22(21)33-24(16-27)26(18-10-13-20(29)23(15-18)32-2)34-25(30)14-9-17-7-11-19(28)12-8-17/h3-15,24,26-29H,16H2,1-2H3/b14-9+

USDA_NMR_database: 1001

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)