Lignin_cw_compound_281

Lignin_cw_compound_281 bmse010188 - Data

Lignin_cw_compound_281 synonyms

Unnamed

Wikipedia:

Graphical representations:

lignin_cw_compound_281

View large 3D structure

Molecular Formula: C20H26O6

Natural Isotopic Abundance Mass: 362.41684

Mono-Isotopic Molecular Masses:

  • C12N14: 362.1729385672
  • C13N14: 382.2400353232
  • C12N15: 362.1729385672
  • C13N15: 382.2400353232

InChI string: InChI=1S/C20H26O6/c1-5-15(21)11-7-13(19(23)17(9-11)25-3)14-8-12(16(22)6-2)10-18(26-4)20(14)24/h7-10,15-16,21-24H,5-6H2,1-4H3/t15-,16-/m1/s1

USDA_NMR_database: 281

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)