Lignin_cw_compound_2073

Lignin_cw_compound_2073 bmse010325 - Data

Lignin_cw_compound_2073 synonyms

Unnamed

Wikipedia:

Graphical representations:

lignin_cw_compound_2073

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: 2073

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)