Lignin_cw_compound_263

Lignin_cw_compound_263 bmse010447 - Data

Lignin_cw_compound_263 synonyms

Unnamed

Wikipedia:

Graphical representations:

lignin_cw_compound_263

View large 3D structure

Molecular Formula: C38H42O14

Natural Isotopic Abundance Mass: 722.73168

Mono-Isotopic Molecular Masses:

  • C12N14: 722.2574560576
  • C13N14: 760.384939894
  • C12N15: 722.2574560576
  • C13N15: 760.384939894

InChI string: InChI=1S/C38H42O14/c1-20(39)46-19-35(38(51-23(4)42)26-10-12-30(50-22(3)41)33(16-26)44-6)52-31-13-9-25(15-34(31)45-7)37-28-18-47-36(27(28)17-48-37)24-8-11-29(49-21(2)40)32(14-24)43-5/h8-16,27-28,35-38H,17-19H2,1-7H3/t27-,28-,35+,36-,37-,38+/m1/s1

USDA_NMR_database: 263

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)