Lignin_cw_compound_3007

Lignin_cw_compound_3007 bmse010497 - Data

Lignin_cw_compound_3007 synonyms

Acetic acid 3-acetoxy-2,3-bis-(4-acetoxy-3-methoxyphenyl)propyl ester

Wikipedia:

Graphical representations:

lignin_cw_compound_3007

View large 3D structure

Molecular Formula: C26H28O10

Natural Isotopic Abundance Mass: 500.49452

Mono-Isotopic Molecular Masses:

  • C12N14: 500.1682471198
  • C13N14: 526.2554729026
  • C12N15: 500.1682471198
  • C13N15: 526.2554729026

InChI string: InChI=1/C26H28O10/c1-15(13-27)34-22-10-8-20(12-25(22)32-6)26(36-18(4)30)21(14-33-16(2)28)19-7-9-23(35-17(3)29)24(11-19)31-5/h7-13,21,26H,1,14H2,2-6H3

USDA_NMR_database: 3007

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)