Lignin_cw_compound_2039

Lignin_cw_compound_2039 bmse010476 - Data

Lignin_cw_compound_2039 synonyms

4-0-5 coupled dehydrovanillin / vanillyl alcohol

Wikipedia:

Graphical representations:

lignin_cw_compound_2039

View large 3D structure

Molecular Formula: C16H16O6

Natural Isotopic Abundance Mass: 304.29464

Mono-Isotopic Molecular Masses:

  • C12N14: 304.0946882462
  • C13N14: 320.148365651
  • C12N15: 304.0946882462
  • C13N15: 320.148365651

InChI string: InChI=1S/C16H16O6/c1-20-13-5-10(8-17)3-4-12(13)22-15-7-11(9-18)6-14(21-2)16(15)19/h3-7,9,17,19H,8H2,1-2H3

USDA_NMR_database: 2039

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)