Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

1-(4-acetoxy-3,5-dimethoxyphenyl)-2-(4-acetyl-2,6-dimethoxy Phenoxy)-3-hydroxypropan-1-one

Lignin_cw_compound_79 synonyms


Graphical representations:


View large 3D structure

Molecular Formula: C23H26O10

Natural Isotopic Abundance Mass: 462.44654

Mono-Isotopic Molecular Masses:

  • C12N14: 462.1525970556
  • C13N14: 485.229758325
  • C12N15: 462.1525970556
  • C13N15: 485.229758325

InChI string: InChI=1/C23H26O10/c1-12(25)14-7-16(28-3)23(17(8-14)29-4)33-20(11-24)21(27)15-9-18(30-5)22(32-13(2)26)19(10-15)31-6/h7-10,20,24H,11H2,1-6H3

USDA_NMR_database: 79

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,