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_3026

Graphical representations:

lignin_cw_compound_3026 image

Molecular Formula: C21 H28 O6

Natural Isotopic Abundance Mass: 376.44342

Mono-Isotopic Molecular Masses:

  • C12N14: 376.1885886314
  • C13N14: 397.2590402252
  • C12N15: 376.1885886314
  • C13N15: 397.2590402252

InCHi String: InChI=1/C21H28O6/c1-5-6-14-11-19(25-3)21(20(12-14)26-4)27-16(13-22)9-15-7-8-17(23)18(10-15)24-2/h7-8,10-12,16,22-23H,5-6,9,13H2,1-4H3

Canonical and Isomeric SMILES: CCCC1=CC(=C(C(=C1)OC)OC(CC2=CC(=C(C=C2)O)OC)CO)OC

Beilstein
2-(2,6-dimethoxy-4-propylphenoxy)-3-(4-hydroxy-3-methoxyphenyl)propan-1-ol

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 3026
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.