Lignin_cw_compound_253

Lignin_cw_compound_253 bmse010167 - Data

Lignin_cw_compound_253 synonyms

Unnamed

Wikipedia:

Graphical representations:

lignin_cw_compound_253

View large 3D structure

Molecular Formula: C28H24O9

Natural Isotopic Abundance Mass: 504.48476

Mono-Isotopic Molecular Masses:

  • C12N14: 504.1420323693
  • C13N14: 532.2359678277
  • C12N15: 504.1420323693
  • C13N15: 532.2359678277

InChI string: InChI=1/C28H24O9/c1-18(29)35-23-11-7-21(8-12-23)27(31)34-16-4-5-20-6-15-25(26(17-20)33-3)37-28(32)22-9-13-24(14-10-22)36-19(2)30/h4-15,17H,16H2,1-3H3/b5-4+

USDA_NMR_database: 253

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)