Biological Magnetic Resonance Data Bank

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


Graphical representations:

lignin_cw_compound_3024 image

Molecular Formula: C34 H36 O11

Natural Isotopic Abundance Mass: 620.64304

Mono-Isotopic Molecular Masses:

  • C12N14: 620.2257619987
  • C13N14: 654.3398264839
  • C12N15: 620.2257619987
  • C13N15: 654.3398264839

InCHi String:

Canonical and Isomeric SMILES: COC1=C(C=C(C=C1)C(C(CO)OC2=C(C=C(C=C2)C=CC(=O)OC)OC)OC3=CC=C(C=C3)C=CC(=O)OC)OC

3-(4-{3-carboxyoxy-1-(3,4-dimethoxyphenyl)-2-[2-methoxy-4-(2-methoxycarbonylvinyl)phenoxy]propoxy}phenyl)acrylic acid methyl ester

PubChem Substance (SID):   n/a
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 3024
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.