BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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3-octadecoxypropane-1,2-diol

3-octadecoxypropane-1,2-diol synonyms

Batyl alcohol

Wikipedia:

Graphical representations:

3-octadecoxypropane-1,2-diol

View large 3D structure

Molecular Formula: C21H44O3

Natural Isotopic Abundance Mass: 344.572260000001

Mono-Isotopic Molecular Masses:

  • C12N14: 344.329045268001
  • C13N14: 365.399496866001
  • C12N15: 344.329045268001
  • C13N15: 365.399496866001

InChI string: InChI=1S/C21H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23)19-22/h21-23H,2-20H2,1H3/t21-/m0/s1

MMCD: cq_09817
PubChem Compound (CID): 3681

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, https://www.nature.com/articles/sdata201773)