Lignin_cw_compound_1010

Lignin_cw_compound_1010 bmse010264 - Data

Lignin_cw_compound_1010 synonyms

3-(4-Acetoxy-3-methoxyphenyl) acrylic acid 3-(4-acetoxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)-3-oxopropyl ester

Wikipedia:

Graphical representations:

lignin_cw_compound_1010

View large 3D structure

Molecular Formula: C31H30O11

Natural Isotopic Abundance Mass: 578.5633

Mono-Isotopic Molecular Masses:

  • C12N14: 578.1788118061
  • C13N14: 609.2828117779
  • C12N15: 578.1788118061
  • C13N15: 609.2828117779

InChI string: InChI=1S/C31H30O11/c1-19(32)40-25-13-10-21(16-27(25)37-4)11-15-30(34)39-18-29(42-24-9-7-6-8-23(24)36-3)31(35)22-12-14-26(41-20(2)33)28(17-22)38-5/h6-17,29H,18H2,1-5H3/b15-11+/t29-/m1/s1

USDA_NMR_database: 1010

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)