Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Lignin_cw_compound_278 synonyms



Graphical representations:

lignin_cw_compound_278 image

Molecular Formula: C38 H44 O13

Natural Isotopic Abundance Mass: 708.74816

Mono-Isotopic Molecular Masses:

  • C12N14: 708.2781914997
  • C13N14: 746.4056753361
  • C12N15: 708.2781914997
  • C13N15: 746.4056753361

InCHi String:

Canonical and Isomeric SMILES: CCC(C1=CC3=C(C(=C1)OC)OC(COC(C)=O)C(C2=CC(=C(C=C2)OC(C)=O)OC)OC4=C3C=C(C=C4OC)C(CC)OC(C)=O)OC(C)=O

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 278
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.