Lignin_cw_compound_278

Lignin_cw_compound_278 bmse010450 - Data

Lignin_cw_compound_278 synonyms

Unnamed

Wikipedia:

Graphical representations:

lignin_cw_compound_278

View large 3D structure

Molecular Formula: C38H44O13

Natural Isotopic Abundance Mass: 708.74816

Mono-Isotopic Molecular Masses:

  • C12N14: 708.2781914997
  • C13N14: 746.4056753361
  • C12N15: 708.2781914997
  • C13N15: 746.4056753361

InChI string: InChI=1S/C38H44O13/c1-10-29(47-21(4)40)25-14-27-28-15-26(30(11-2)48-22(5)41)18-34(45-9)38(28)51-36(24-12-13-31(49-23(6)42)32(16-24)43-7)35(19-46-20(3)39)50-37(27)33(17-25)44-8/h12-18,29-30,35-36H,10-11,19H2,1-9H3/t29-,30+,35-,36+/m0/s1

USDA_NMR_database: 278

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)