Lignin_cw_compound_3044

Lignin_cw_compound_3044 bmse010364 - Data

Lignin_cw_compound_3044 synonyms

Unnamed

Wikipedia:

Graphical representations:

lignin_cw_compound_3044

View large 3D structure

Molecular Formula: C24H26O10

Natural Isotopic Abundance Mass: 474.45724

Mono-Isotopic Molecular Masses:

  • C12N14: 474.1525970556
  • C13N14: 498.2331131628
  • C12N15: 474.1525970556
  • C13N15: 498.2331131628

InChI string: InChI=1S/C24H26O10/c1-13(25)30-11-16-8-20(29-5)24-21(9-16)33-23(22(34-24)12-31-14(2)26)17-6-7-18(32-15(3)27)19(10-17)28-4/h6-10,22-23H,11-12H2,1-5H3/t22-,23-/m0/s1

USDA_NMR_database: 3044

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)