Lignin_cw_compound_2082

Lignin_cw_compound_2082 bmse010496 - Data

Lignin_cw_compound_2082 synonyms

Unnamed

Wikipedia:

Graphical representations:

lignin_cw_compound_2082

View large 3D structure

Molecular Formula: C21H24O9

Natural Isotopic Abundance Mass: 420.40986

Mono-Isotopic Molecular Masses:

  • C12N14: 420.1420323693
  • C13N14: 441.2124839631
  • C12N15: 420.1420323693
  • C13N15: 441.2124839631

InChI string: InChI=1S/C21H24O9/c1-12(23)29-21-16(27-4)9-13(10-17(21)28-5)19(24)18(11-22)30-20-14(25-2)7-6-8-15(20)26-3/h6-10,18,22H,11H2,1-5H3/t18-/m0/s1

USDA_NMR_database: 2082

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)