Lignin_cw_compound_251

Lignin_cw_compound_251 bmse010166 - Data

Lignin_cw_compound_251 synonyms

Unnamed

Wikipedia:

Graphical representations:

lignin_cw_compound_251

View large 3D structure

Molecular Formula: C26H26O6

Natural Isotopic Abundance Mass: 434.48104

Mono-Isotopic Molecular Masses:

  • C12N14: 434.1729385672
  • C13N14: 460.26016435
  • C12N15: 434.1729385672
  • C13N15: 460.26016435

InChI string: InChI=1/C26H26O6/c1-19(27)32-23-13-11-22(12-14-23)26(28)30-16-6-9-20-10-15-24(25(17-20)29-2)31-18-21-7-4-3-5-8-21/h3-5,7-8,10-15,17H,6,9,16,18H2,1-2H3

USDA_NMR_database: 251

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)