BMRB

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-Hydroxy-3,5-dimethoxyphenyl)-2-[4-(1-hydroxyethyl)phenoxy]propane-1,3-diol

1-(4-Hydroxy-3,5-dimethoxyphenyl)-2-[4-(1-hydroxyethyl)phenoxy]propane-1,3-diol bmse010252 - Data

Lignin_cw_compound_91 synonyms

Wikipedia:

Graphical representations:

lignin_cw_compound_91

View large 3D structure

Molecular Formula: C19H24O7

Natural Isotopic Abundance Mass: 364.38966

Mono-Isotopic Molecular Masses:

  • C12N14: 364.1522031251
  • C13N14: 383.2159450433
  • C12N15: 364.1522031251
  • C13N15: 383.2159450433

InChI string: InChI=1S/C19H24O7/c1-11(21)12-4-6-14(7-5-12)26-17(10-20)18(22)13-8-15(24-2)19(23)16(9-13)25-3/h4-9,11,17-18,20-23H,10H2,1-3H3/t11-,17-,18-/m0/s1

USDA_NMR_database: 91

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)