Lignin_cw_compound_217

Lignin_cw_compound_217 bmse010144 - Data

Lignin_cw_compound_217 synonyms

3-(4-hydroxy-3-methoxyphenyl)-2-[2,6-dimethoxyphenoxy]propan-1-ol

Wikipedia:

Graphical representations:

lignin_cw_compound_217

View large 3D structure

Molecular Formula: C18H22O6

Natural Isotopic Abundance Mass: 334.36368

Mono-Isotopic Molecular Masses:

  • C12N14: 334.1416384388
  • C13N14: 352.2020255192
  • C12N15: 334.1416384388
  • C13N15: 352.2020255192

InChI string: InChI=1S/C18H22O6/c1-21-15-5-4-6-16(22-2)18(15)24-13(11-19)9-12-7-8-14(20)17(10-12)23-3/h4-8,10,13,19-20H,9,11H2,1-3H3/t13-/m1/s1

USDA_NMR_database: 217

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)