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_73 image

Molecular Formula: C21 H26 O4

Natural Isotopic Abundance Mass: 342.42874

Mono-Isotopic Molecular Masses:

  • C12N14: 342.183109323
  • C13N14: 363.2535609168
  • C12N15: 342.183109323
  • C13N15: 363.2535609168

InCHi String: InChI=1/C21H26O4/c1-6-7-14-10-16-13(2)20(25-21(16)19(11-14)24-5)15-8-9-17(22-3)18(12-15)23-4/h8-13,20H,6-7H2,1-5H3

Canonical and Isomeric SMILES: CCCC1=CC2=C(C(=C1)OC)OC(C2C)C3=CC(=C(C=C3)OC)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 73
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.