Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Guaiacylglycerol-B-coniferyl Ether

Graphical representations:

Guaiacylglycerol-B-coniferyl ether image

Molecular Formula: C20 H24 O7

Natural Isotopic Abundance Mass: 376.40036

Mono-Isotopic Molecular Masses:

  • C12N14: 376.1522031251
  • C13N14: 396.2192998811
  • C12N15: 376.1522031251
  • C13N15: 396.2192998811

InCHi String: InChI=1/C20H24O7/c1-25-17-11-14(6-7-15(17)23)20(24)19(12-22)27-16-8-5-13(4-3-9-21)10-18(16)26-2/h3-8,10-11,19-24H,9,12H2,1-2H3/b4-3+

Canonical and Isomeric SMILES: COC1=C(C=CC(=C1)C(C(CO)OC2=C(C=C(C=CCO)C=C2)OC)O)O

Guaiacylglycerol-B-coniferyl ether

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 2013
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.