Lignin_cw_compound_138

Lignin_cw_compound_138 bmse010072 - Data

Lignin_cw_compound_138 synonyms

1-Acetoxy-1-(4-acetoxy-3-methoxyphenyl)2-[4-(1-acetoxyethyl)phenoxy] ethane

Wikipedia:

Graphical representations:

lignin_cw_compound_138

View large 3D structure

Molecular Formula: C23H26O8

Natural Isotopic Abundance Mass: 430.44774

Mono-Isotopic Molecular Masses:

  • C12N14: 430.1627678114
  • C13N14: 453.2399290808
  • C12N15: 430.1627678114
  • C13N15: 453.2399290808

InChI string: InChI=1S/C23H26O8/c1-14(29-15(2)24)18-6-9-20(10-7-18)28-13-23(31-17(4)26)19-8-11-21(30-16(3)25)22(12-19)27-5/h6-12,14,23H,13H2,1-5H3/t14-,23+/m0/s1

USDA_NMR_database: 138

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)