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_2012 image

Molecular Formula: C28 H32 O11

Natural Isotopic Abundance Mass: 544.54708

Mono-Isotopic Molecular Masses:

  • C12N14: 544.1944618703
  • C13N14: 572.2883973287
  • C12N15: 544.1944618703
  • C13N15: 572.2883973287

InCHi String:

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

Guaiacyl glycerol-B-coniferyl ether peracetate

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 2012
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.