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_3027 image

Molecular Formula: C21 H28 O6

Natural Isotopic Abundance Mass: 376.44342

Mono-Isotopic Molecular Masses:

  • C12N14: 376.1885886314
  • C13N14: 397.2590402252
  • C12N15: 376.1885886314
  • C13N15: 397.2590402252

InCHi String:

Canonical and Isomeric SMILES: CCCC1=CC(=C(C=C1)OC(CC2=CC(=C(C(=C2)OC)O)OC)CO)OC


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 3027
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.