Lignin_cw_compound_2064

Lignin_cw_compound_2064 bmse010317 - Data

Lignin_cw_compound_2064 synonyms

Dihydrosinapyl dihydro-p-coumarate

Wikipedia:

Graphical representations:

lignin_cw_compound_2064

View large 3D structure

Molecular Formula: C20H24O6

Natural Isotopic Abundance Mass: 360.40096

Mono-Isotopic Molecular Masses:

  • C12N14: 360.157288503
  • C13N14: 380.224385259
  • C12N15: 360.157288503
  • C13N15: 380.224385259

InChI string: InChI=1S/C20H24O6/c1-24-17-12-15(13-18(25-2)20(17)23)4-3-11-26-19(22)10-7-14-5-8-16(21)9-6-14/h5-6,8-9,12-13,21,23H,3-4,7,10-11H2,1-2H3

USDA_NMR_database: 2064

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)