Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

Buddlenol A

Graphical representations:

buddlenol A image

Molecular Formula: C31 H34 O11

Natural Isotopic Abundance Mass: 582.59506

Mono-Isotopic Molecular Masses:

  • C12N14: 582.2101119345
  • C13N14: 613.3141119063
  • C12N15: 582.2101119345
  • C13N15: 613.3141119063

InCHi String:

Canonical and Isomeric SMILES: COC1=C(C=CC(=C1)C(C(CO)OC2=C(C=C(C=C2OC)C4C(CO)C3=C(C(=CC(=C3)C=CC=O)OC)O4)OC)O)O

buddlenol A

PubChem Substance (SID):   111678086
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 3065
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.