Erone

Erone bmse010046 - Data

Erone synonyms

3-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)-propan-1-one

Wikipedia:

Graphical representations:

Erone

View large 3D structure

Molecular Formula: C17H18O6

Natural Isotopic Abundance Mass: 318.32122

Mono-Isotopic Molecular Masses:

  • C12N14: 318.1103383104
  • C13N14: 335.167370553
  • C12N15: 318.1103383104
  • C13N15: 335.167370553

InChI string: InChI=1S/C17H18O6/c1-21-13-5-3-4-6-14(13)23-16(10-18)17(20)11-7-8-12(19)15(9-11)22-2/h3-9,16,18-19H,10H2,1-2H3/t16-/m0/s1

USDA_NMR_database: 106

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)