Keyword(s): Human Metabolites
Molecule Category Free-form
UNII Q9JA45UU2R
EPA CompTox DTXSID5066378

Structure

InChI Key WMZHDICSCDKPFS-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCCCCCCCCCCCCCCCCC=C
InChI
InChI=1S/C30H60/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-30H2,2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H60
Molecular Weight 420.47
AlogP 11.73
Number of Rotational Bond 27.0
Heavy Atoms 30.0

Cross References

Resources Reference
CAS NUMBER 18435-53-5
NORMAN SUSDAT
FDA SRS Q9JA45UU2R
PubChem 87639
ChemSpider 79064.0