Lignin_cw_compound_1020

Lignin_cw_compound_1020 bmse010274 - Data

Lignin_cw_compound_1020 synonyms

3-(4-acetoxyphenyl) acrylic acid 3-acetoxy-3-(4-acetoxy-3- methoxyphenyl)-2-(2-methoxyphenoxy) propyl ester

Wikipedia:

Graphical representations:

lignin_cw_compound_1020

View large 3D structure

Molecular Formula: C32H32O11

Natural Isotopic Abundance Mass: 592.58988

Mono-Isotopic Molecular Masses:

  • C12N14: 592.1944618703
  • C13N14: 624.3018166799
  • C12N15: 592.1944618703
  • C13N15: 624.3018166799

InChI string: InChI=1S/C32H32O11/c1-20(33)40-25-14-10-23(11-15-25)12-17-31(36)39-19-30(43-27-9-7-6-8-26(27)37-4)32(42-22(3)35)24-13-16-28(41-21(2)34)29(18-24)38-5/h6-18,30,32H,19H2,1-5H3/b17-12+/t30-,32+/m1/s1

USDA_NMR_database: 1020

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)