Biological Magnetic Resonance Data Bank

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


Pterostilbene synonyms


Graphical representations:


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Molecular Formula: C16H16O3

Natural Isotopic Abundance Mass: 256.29644

Mono-Isotopic Molecular Masses:

  • C12N14: 256.109944372
  • C13N14: 272.16362178
  • C12N15: 256.109944372
  • C13N15: 272.16362178

InChI string: InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3+

IUPAC: 4-[2-(3,5-dimethoxyphenyl)ethenyl]phenol

BMRB Ligand Expo: 3RL
PubChem Compound (CID): 5281727

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (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,