1-(4-acetoxy-3,5-dimethoxyphenyl)-1,3-diacetoxy-2-[4-(1-acetoxyethyl)-2,6-dimethoxyphenoxy]propane

1-(4-acetoxy-3,5-dimethoxyphenyl)-1,3-diacetoxy-2-[4-(1-acetoxyethyl)-2,6-dimethoxyphenoxy]propane bmse010259 - Data

Lignin_cw_compound_98 synonyms

Wikipedia:

Graphical representations:

lignin_cw_compound_98

View large 3D structure

Molecular Formula: C29H36O13

Natural Isotopic Abundance Mass: 592.58834

Mono-Isotopic Molecular Masses:

  • C12N14: 592.2155912429
  • C13N14: 621.3128815391
  • C12N15: 592.2155912429
  • C13N15: 621.3128815391

InChI string: InChI=1S/C29H36O13/c1-15(39-17(3)31)20-10-22(34-6)29(23(11-20)35-7)42-26(14-38-16(2)30)27(40-18(4)32)21-12-24(36-8)28(41-19(5)33)25(13-21)37-9/h10-13,15,26-27H,14H2,1-9H3/t15-,26+,27+/m0/s1

USDA_NMR_database: 98

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)