Lignin_cw_compound_2049

Lignin_cw_compound_2049 bmse010309 - Data

Lignin_cw_compound_2049 synonyms

Unnamed

Wikipedia:

Graphical representations:

lignin_cw_compound_2049

View large 3D structure

Molecular Formula: C24H22O9

Natural Isotopic Abundance Mass: 454.42608

Mono-Isotopic Molecular Masses:

  • C12N14: 454.1263823051
  • C13N14: 478.2068984123
  • C12N15: 454.1263823051
  • C13N15: 478.2068984123

InChI string: InChI=1/C24H22O9/c1-29-18-6-14(11-25)4-5-17(18)32-22-10-16(13-27)9-21(31-3)24(22)33-20-8-15(12-26)7-19(30-2)23(20)28/h4-10,12-13,25,28H,11H2,1-3H3

USDA_NMR_database: 2049

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)