Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 1XV928K1PM
EPA CompTox DTXSID60171563

Structure

InChI Key WMRDPJYQERQCEP-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=C
InChI
InChI=1S/C32H64/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-32H2,2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C32H64
Molecular Weight 448.5
AlogP 12.51
Number of Rotational Bond 29.0
Heavy Atoms 32.0

Cross References

Resources Reference
CAS NUMBER 18435-55-7
NORMAN SUSDAT
FDA SRS 1XV928K1PM
PubChem 87640
ChemSpider 79065.0