Biological Magnetic Resonance Data Bank

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

Pinoresinol Biphenyl

Pinoresinol_biphenyl synonyms


Graphical representations:


View large 3D structure

Molecular Formula: C40H42O12

Natural Isotopic Abundance Mass: 714.75428

Mono-Isotopic Molecular Masses:

  • C12N14: 714.2676268134
  • C13N14: 754.4018203254
  • C12N15: 714.2676268134
  • C13N15: 754.4018203254

InChI string: InChI=1S/C40H42O12/c1-45-31-11-19(5-7-29(31)41)37-25-15-51-39(27(25)17-49-37)21-9-23(35(43)33(13-21)47-3)24-10-22(14-34(48-4)36(24)44)40-28-18-50-38(26(28)16-52-40)20-6-8-30(42)32(12-20)46-2/h5-14,25-28,37-44H,15-18H2,1-4H3/t25-,26-,27-,28-,37-,38+,39-,40+/m1/s1

USDA_NMR_database: 164

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,