Guaiacylglycerol-B-coniferyl Ether

Guaiacylglycerol-B-coniferyl Ether bmse010461 - Data bmse010462 - Data

Guaiacylglycerol-B-coniferyl Ether synonyms

1-(4-Hydroxy-3-methoxyphenyl)-2-[4-(3-hydroxypropenyl)-2-methoxyphenoxy]propane-1,3-diol

Wikipedia:

Graphical representations:

Guaiacylglycerol-B-coniferyl

View large 3D structure

Molecular Formula: C20H24O7

Natural Isotopic Abundance Mass: 376.40036

Mono-Isotopic Molecular Masses:

  • C12N14: 376.1522031251
  • C13N14: 396.2192998811
  • C12N15: 376.1522031251
  • C13N15: 396.2192998811

InChI string: InChI=1S/C20H24O7/c1-25-17-11-14(6-7-15(17)23)20(24)19(12-22)27-16-8-5-13(4-3-9-21)10-18(16)26-2/h3-8,10-11,19-24H,9,12H2,1-2H3/b4-3+/t19-,20-/m0/s1

USDA_NMR_database: 2013

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)