Biological Magnetic Resonance Data Bank

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


Lignin_cw_compound_2057 synonyms

5-5 Dehydrodiferulate diethyl ester


Graphical representations:

lignin_cw_compound_2057 image

Molecular Formula: C24 H26 O8

Natural Isotopic Abundance Mass: 442.45844

Mono-Isotopic Molecular Masses:

  • C12N14: 442.1627678114
  • C13N14: 466.2432839186
  • C12N15: 442.1627678114
  • C13N15: 466.2432839186

InCHi String:

Canonical and Isomeric SMILES: CCOC(C=CC1=CC(=C(C(=C1)OC)O)C2=C(C(=CC(=C2)C=CC(=O)OCC)OC)O)=O

5-5 Dehydrodiferulate diethyl 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 2057
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.