4-Acetoxycinnamic Acid 3-acetoxy-3-(4-acetoxy- 3-methoxyphenyl)-2-(2-methoxyphenoxy)propyl Ester

4-Acetoxycinnamic Acid 3-acetoxy-3-(4-acetoxy- 3-methoxyphenyl)-2-(2-methoxyphenoxy)propyl Ester bmse010243 - Data bmse010244 - Data

Lignin_cw_compound_82 synonyms

Wikipedia:

Graphical representations:

lignin_cw_compound_82

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: 82

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)