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 synonyms

Batyl alcohol


Graphical representations:

3-octadecoxypropane-1,2-diol image

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


PubChem Substance (SID):   n/a
PubChem Compound (CID):   3681
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   MMCD cq_09817

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

Atom numbering calculated using ALATIS. Citation: 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,