Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key WJECKFZULSWXPN-UHFFFAOYSA-N
Smiles C=1C=CC(=C(C1)CCCCCCCCCCCC)CCCCCCCCCCCC
InChI
InChI=1/C30H54/c1-3-5-7-9-11-13-15-17-19-21-25-29-27-23-24-28-30(29)26-22-20-18-16-14-12-10-8-6-4-2/h23-24,27-28H,3-22,25-26H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H54
Molecular Weight 414.42
AlogP 10.61
Number of Rotational Bond 22.0
Heavy Atoms 30.0

Cross References

Resources Reference
CAS NUMBER 39888-70-5
NORMAN SUSDAT
PubChem 113541