Lignin_cw_compound_140

Lignin_cw_compound_140 bmse010427 - Data

Lignin_cw_compound_140 synonyms

1,3-diacetoxy-1-(4-acetoxy-3-methoxyphenyl)-2-[4-(1-acetoxyethyl)-2-methoxyphenoxy] propane

Wikipedia:

Graphical representations:

lignin_cw_compound_140

View large 3D structure

Molecular Formula: C27H32O11

Natural Isotopic Abundance Mass: 532.53638

Mono-Isotopic Molecular Masses:

  • C12N14: 532.1944618703
  • C13N14: 559.2850424909
  • C12N15: 532.1944618703
  • C13N15: 559.2850424909

InChI string: InChI=1S/C27H32O11/c1-15(35-17(3)29)20-8-10-23(24(12-20)32-6)38-26(14-34-16(2)28)27(37-19(5)31)21-9-11-22(36-18(4)30)25(13-21)33-7/h8-13,15,26-27H,14H2,1-7H3/t15-,26-,27-/m0/s1

USDA_NMR_database: 140

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)