Lignin_cw_compound_212

Lignin_cw_compound_212 bmse010139 - Data

Lignin_cw_compound_212 synonyms

Syringylgycerol-B-vanillyl alcohol ether; 1-(4-Hydroxy-3,5-dimethoxyphenyl)-2-[4-(1-hydroxymethyl)-2-methoxyphenoxy]propane-1,3-diol

Wikipedia:

Graphical representations:

lignin_cw_compound_212

View large 3D structure

Molecular Formula: C19H24O8

Natural Isotopic Abundance Mass: 380.38906

Mono-Isotopic Molecular Masses:

  • C12N14: 380.1471177472
  • C13N14: 399.2108596654
  • C12N15: 380.1471177472
  • C13N15: 399.2108596654

InChI string: InChI=1S/C19H24O8/c1-24-14-6-11(9-20)4-5-13(14)27-17(10-21)18(22)12-7-15(25-2)19(23)16(8-12)26-3/h4-8,17-18,20-23H,9-10H2,1-3H3/t17-,18-/m0/s1

USDA_NMR_database: 212

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)