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_3018 image

Molecular Formula: C28 H32 O10

Natural Isotopic Abundance Mass: 528.54768

Mono-Isotopic Molecular Masses:

  • C12N14: 528.1995472482
  • C13N14: 556.2934827066
  • C12N15: 528.1995472482
  • C13N15: 556.2934827066

InCHi String:

Canonical and Isomeric SMILES: CC(=O)OCC3CC1=CC(=C(C=C1C(C2=CC(=C(C=C2)OC(C)=O)OC)C3COC(C)=O)OC(C)=O)OC

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 3018
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.