Lignin_cw_compound_21

Lignin_cw_compound_21 bmse010386 - Data

Lignin_cw_compound_21 synonyms

2-(2,6-Dimethoxyphenoxy)-3-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one

Wikipedia:

Graphical representations:

lignin_cw_compound_21

View large 3D structure

Molecular Formula: C18H20O7

Natural Isotopic Abundance Mass: 348.3472

Mono-Isotopic Molecular Masses:

  • C12N14: 348.1209029967
  • C13N14: 366.1812900771
  • C12N15: 348.1209029967
  • C13N15: 366.1812900771

InChI string: InChI=1/C19H22O8/c1-23-12-6-5-7-13(24-2)19(12)27-16(10-20)17(21)11-8-14(25-3)18(22)15(9-11)26-4/h5-9,16,20,22H,10H2,1-4H3

USDA_NMR_database: 21

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)