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-S-r-S (acetate)

G-b-S-r-S (acetate) synonyms

G-b-S-r-S (acetate)


Graphical representations:

G-b-S-r-S (acetate) image

Molecular Formula: C40 H46 O16

Natural Isotopic Abundance Mass: 782.78364

Mono-Isotopic Molecular Masses:

  • C12N14: 782.2785854302
  • C13N14: 822.4127789422
  • C12N15: 782.2785854302
  • C13N15: 822.4127789422

InCHi String:

Canonical and Isomeric SMILES: CC(=O)OCC(C(C1=CC(=C(C=C1)OC(C)=O)OC)OC(C)=O)OC2=C(C=C(C=C2OC)C5C4COC(C3=CC(=C(C(=C3)OC)OC(C)=O)OC)C4CO5)OC

Lignin abbreviation
G-b-S-r-S (acetate)

PubChem Substance (SID):   111677993
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 184
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.