Lignin_cw_compound_133

Lignin_cw_compound_133 bmse010424 - Data

Lignin_cw_compound_133 synonyms

1-(4-hydroxy-3-methoxyphenyl)-2-[4-(1-hydroxyethyl)phenoxy]-propane-1,3-diol

Wikipedia:

Graphical representations:

lignin_cw_compound_133

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=1/C18H22O6/c1-11(20)12-3-6-14(7-4-12)24-17(10-19)18(22)13-5-8-15(21)16(9-13)23-2/h3-9,11,17-22H,10H2,1-2H3

USDA_NMR_database: 133

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)