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_2006 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: InChI=1/C24H26O8/c1-5-30-20(26)10-7-14-11-16-21(24(27)31-6-2)22(32-23(16)19(12-14)29-4)15-8-9-17(25)18(13-15)28-3/h7-13,21-22,25H,5-6H2,1-4H3/b10-7+

Canonical and Isomeric SMILES: CCOC(C=CC1=CC3=C(C(=C1)OC)OC(C2=CC(=C(C=C2)O)OC)C3C(=O)OCC)=O

To be defined

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 2006
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.