Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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G-b-G-AcO synonyms



Graphical representations:

G-b-G-AcO image

View large 3D structure

Molecular Formula: C24 H28 O9

Natural Isotopic Abundance Mass: 460.47372

Mono-Isotopic Molecular Masses:

  • C12N14: 460.1733324977
  • C13N14: 484.2538486049
  • C12N15: 460.1733324977
  • C13N15: 484.2538486049

InChI String: InChI=1S/C24H28O9/c1-14-7-9-20(21(11-14)28-5)33-23(13-30-15(2)25)24(32-17(4)27)18-8-10-19(31-16(3)26)22(12-18)29-6/h7-12,23-24H,13H2,1-6H3/t23-,24-/m0/s1

Canonical and Isomeric SMILES: CC1=CC(=C(C=C1)OC(COC(C)=O)C(C2=CC(=C(C=C2)OC(C)=O)OC)OC(C)=O)OC


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 227
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

Atom numbering calculated using ALATIS. Citation: Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73,