Lignin_cw_compound_2041

Lignin_cw_compound_2041 bmse010306 - Data

Lignin_cw_compound_2041 synonyms

Unnamed

Wikipedia:

Graphical representations:

lignin_cw_compound_2041

View large 3D structure

Molecular Formula: C23H24O8

Natural Isotopic Abundance Mass: 428.43186

Mono-Isotopic Molecular Masses:

  • C12N14: 428.1471177472
  • C13N14: 451.2242790166
  • C12N15: 428.1471177472
  • C13N15: 451.2242790166

InChI string: InChI=1/C23H24O8/c1-5-30-23(26)21(14-16-6-9-17(24)19(13-16)27-2)31-18-10-7-15(12-20(18)28-3)8-11-22(25)29-4/h6-14,24H,5H2,1-4H3/b11-8+,21-14-

USDA_NMR_database: 2041

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)