Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Syringylglycerol-B-guaiacyl ether

Graphical representations:

Syringylglycerol-B-guaiacyl ether image

Molecular Formula: C18 H22 O7

Natural Isotopic Abundance Mass: 350.36308

Mono-Isotopic Molecular Masses:

  • C12N14: 350.1365530609
  • C13N14: 368.1969401413
  • C12N15: 350.1365530609
  • C13N15: 368.1969401413

InCHi String: InChI=1/C18H22O7/c1-22-12-6-4-5-7-13(12)25-16(10-19)17(20)11-8-14(23-2)18(21)15(9-11)24-3/h4-9,16-17,19-21H,10H2,1-3H3

Canonical and Isomeric SMILES: COC1=CC=CC=C1OC(CO)C(C2=CC(=C(C(=C2)OC)O)OC)O

Syringylglycerol-B-guaiacyl ether

PubChem Substance (SID):   111678071
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 90
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.