Biological Magnetic Resonance Data Bank

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


Graphical representations:


View large 3D structure

Molecular Formula: C23H34O5

Natural Isotopic Abundance Mass: 390.51306

Mono-Isotopic Molecular Masses:

  • C12N14: 390.2406242019
  • C13N14: 413.3177854713
  • C12N15: 390.2406242019
  • C13N15: 413.3177854713

InChI string: InChI=1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h9,14-19,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16-,17-,18+,19-,21+,22+,23+/m1/s1

PubChem Compound (CID): 15478
ChemSpider: 14728
ChEBI: CHEBI:42098
LipidMAPS: LMST01120008
ZINC: ZINC03982471
PDB Compound ID: DOG

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,