Lignin_cw_compound_282

Lignin_cw_compound_282 bmse010189 - Data

Lignin_cw_compound_282 synonyms

Wikipedia:

Graphical representations:

lignin_cw_compound_282

View large 3D structure

Molecular Formula: C28H34O10

Natural Isotopic Abundance Mass: 530.56356

Mono-Isotopic Molecular Masses:

  • C12N14: 530.2151973124
  • C13N14: 558.3091327708
  • C12N15: 530.2151973124
  • C13N15: 558.3091327708

InChI string: InChI=1S/C28H34O10/c1-9-23(35-15(3)29)19-11-21(27(37-17(5)31)25(13-19)33-7)22-12-20(24(10-2)36-16(4)30)14-26(34-8)28(22)38-18(6)32/h11-14,23-24H,9-10H2,1-8H3/t23-,24-/m1/s1

USDA_NMR_database: 282

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)