Lignin_cw_compound_2074

Lignin_cw_compound_2074 bmse010326 - Data

Lignin_cw_compound_2074 synonyms

Unnamed

Wikipedia:

Graphical representations:

lignin_cw_compound_2074

View large 3D structure

Molecular Formula: C34H36O13

Natural Isotopic Abundance Mass: 652.64184

Mono-Isotopic Molecular Masses:

  • C12N14: 652.2155912429
  • C13N14: 686.3296557281
  • C12N15: 652.2155912429
  • C13N15: 686.3296557281

InChI string: InChI=1S/C34H36O13/c1-20(35)44-25-14-11-23(12-15-25)13-16-31(38)43-19-30(47-33-26(39-4)9-8-10-27(33)40-5)32(45-21(2)36)24-17-28(41-6)34(46-22(3)37)29(18-24)42-7/h8-18,30,32H,19H2,1-7H3/b16-13+/t30-,32+/m1/s1

USDA_NMR_database: 2074

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)