BMRB

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_3032

lignin_cw_compound_3032 synonyms

2,3-diformyl-1,4-bis(4-hydroxy-3-methoxyphenyl)buta-1,3-diene

Wikipedia:

Graphical representations:

lignin_cw_compound_3032 image

Molecular Formula: C20 H18 O6

Natural Isotopic Abundance Mass: 354.35332

Mono-Isotopic Molecular Masses:

  • C12N14: 354.1103383104
  • C13N14: 374.1774350664
  • C12N15: 354.1103383104
  • C13N15: 374.1774350664

InCHi String: InChI=1/C20H18O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-12,23-24H,1-2H3/b15-7-,16-8-

Canonical and Isomeric SMILES: COC1=C(C=CC(=C1)C=C(C=O)C(=CC2=CC(=C(C=C2)O)OC)C=O)O

Beilstein
2,3-diformyl-1,4-bis(4-hydroxy-3-methoxyphenyl)buta-1,3-diene

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 3032
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.