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_2025 image

Molecular Formula: C42 H48 O12

Natural Isotopic Abundance Mass: 744.82332

Mono-Isotopic Molecular Masses:

  • C12N14: 744.314577006
  • C13N14: 786.4554801936
  • C12N15: 744.314577006
  • C13N15: 786.4554801936

InCHi String:

Canonical and Isomeric SMILES: C[C@@]45CO[C@@H](C1=CC(=C(C=C1)O[C@H](C2=CC(=C(C=C2)O)OC)[C@H](CO)OC3=C(C=C(C=CCO)C=C3)OC)OC)[C@]4(C)CO[C@H]5C6=CC(=C(C=C6)O)OC

Guaiacylglycerol-A-pinoresinol-B-coniferyl-bis-ether diastereomeric mixture

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 2025
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.