Lignin_cw_compound_3062

Lignin_cw_compound_3062 bmse010375 - Data

Lignin_cw_compound_3062 synonyms

Unnamed

Wikipedia:

Graphical representations:

lignin_cw_compound_3062

View large 3D structure

Molecular Formula: C26H24O9

Natural Isotopic Abundance Mass: 480.46336

Mono-Isotopic Molecular Masses:

  • C12N14: 480.1420323693
  • C13N14: 506.2292581521
  • C12N15: 480.1420323693
  • C13N15: 506.2292581521

InChI string: InChI=1S/C26H24O9/c1-31-20-10-16(4-5-19(20)30)24-23(13-29)34-25-17(6-14(11-27)8-21(25)32-2)18-7-15(12-28)9-22(33-3)26(18)35-24/h4-12,23-24,29-30H,13H2,1-3H3/t23-,24+/m0/s1

USDA_NMR_database: 3062

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)