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

Structure

InChI Key JALVTHFTYRPDMB-HRRTYWNUSA-N
Smiles OC1CCC2(C)C(CCC3C2CCC4(C)C3CC5N6CC(C)CCC6C(C)C54)C1
InChI
InChI=1/C27H45NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h16-25,29H,5-15H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H45NO
Molecular Weight 399.35
AlogP 5.73
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 23.47
Heavy Atoms 29.0

Cross References

Resources Reference
CAS NUMBER 474-08-8
NORMAN SUSDAT
PubChem 101379