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_288

Lignin_cw_compound_288 synonyms

4-O-5

Wikipedia:

Graphical representations:

lignin_cw_compound_288 image

Molecular Formula: C22 H28 O5

Natural Isotopic Abundance Mass: 372.45472

Mono-Isotopic Molecular Masses:

  • C12N14: 372.1936740093
  • C13N14: 394.2674804409
  • C12N15: 372.1936740093
  • C13N15: 394.2674804409

InCHi String: InChI=1/C22H28O5/c1-6-8-16-10-11-18(19(12-16)24-4)27-21-14-17(9-7-2)13-20(25-5)22(21)26-15(3)23/h10-14H,6-9H2,1-5H3

Canonical and Isomeric SMILES: CCCC1=CC(=C(C=C1)OC2=CC(=CC(=C2OC(C)=O)OC)CCC)OC

Beilstein
4-O-5

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 288
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.