3-(4-Acetoxy-3-methoxyphenyl)acrylic Acid 4-[1,3-diacetoxy-2-(2-methoxyphenoxy)propyl]phenyl Ester

3-(4-Acetoxy-3-methoxyphenyl)acrylic Acid 4-[1,3-diacetoxy-2-(2-methoxyphenoxy)propyl]phenyl Ester bmse010245 - Data

Lignin_cw_compound_84 synonyms

Wikipedia:

Graphical representations:

lignin_cw_compound_84

View large 3D structure

Molecular Formula: C33H34O12

Natural Isotopic Abundance Mass: 622.61586

Mono-Isotopic Molecular Masses:

  • C12N14: 622.2050265566
  • C13N14: 655.315736204
  • C12N15: 622.2050265566
  • C13N15: 655.315736204

InChI string: InChI=1/C33H34O12/c1-20(34)41-19-31(44-26-10-8-7-9-25(26)38-4)33(43-22(3)36)24-13-15-28(30(18-24)40-6)45-32(37)16-12-23-11-14-27(42-21(2)35)29(17-23)39-5/h7-18,31,33H,19H2,1-6H3/b16-12+

USDA_NMR_database: 84

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)