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: C19H24O3

Natural Isotopic Abundance Mass: 300.39206

Mono-Isotopic Molecular Masses:

  • C12N14: 300.1725446367
  • C13N14: 319.2362865549
  • C12N15: 300.1725446367
  • C13N15: 319.2362865549

InChI string: InChI=1S/C19H24O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-14,17H,3-8,10H2,1-2H3/t13-,14-,17+,18-,19-/m0/s1

PubChem Compound (CID): 223997
CAS Registry number: 382-45-6
Sigma-Aldrich: 284998_ALDRICH
ChemBank: SPBio_002927
ChemSpider: 19031546
DTP/NCI: 12166
KEGG Compound ID: C05285
NCGC: NCGC00179466-01
MMCD: cq_02951
MDL: MFCD00003606

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,