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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Guaiacylglycerol-B-guaiacyl Ether Triacetate

Graphical representations:

Guaiacylglycerol-B-guaiacyl ether triacetate image

Molecular Formula: C23 H26 O9

Natural Isotopic Abundance Mass: 446.44714

Mono-Isotopic Molecular Masses:

  • C12N14: 446.1576824335
  • C13N14: 469.2348437029
  • C12N15: 446.1576824335
  • C13N15: 469.2348437029

InCHi String: InChI=1/C23H26O9/c1-14(24)29-13-22(32-19-9-7-6-8-18(19)27-4)23(31-16(3)26)17-10-11-20(30-15(2)25)21(12-17)28-5/h6-12,22-23H,13H2,1-5H3

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

Beilstein
Guaiacylglycerol-B-guaiacyl ether triacetate

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 74
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.