Lignin_cw_compound_3071

Lignin_cw_compound_3071 bmse010384 - Data

Lignin_cw_compound_3071 synonyms

Unnamed

Wikipedia:

Graphical representations:

lignin_cw_compound_3071

View large 3D structure

Molecular Formula: C23H26O9

Natural Isotopic Abundance Mass: 446.44714

Mono-Isotopic Molecular Masses:

  • C12N14: 446.1576824335
  • C13N14: 469.2348437029
  • C12N15: 446.1576824335
  • C13N15: 469.2348437029

InChI string: InChI=1S/C23H26O9/c1-14(25)31-13-21(22(27)16-7-8-17(26)18(12-16)28-2)32-23-19(29-3)10-15(6-5-9-24)11-20(23)30-4/h5-12,21-22,26-27H,13H2,1-4H3/b6-5+/t21-,22-/m1/s1

USDA_NMR_database: 3071

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)