TPCN04972

Name Nepehinol
Molecular Formula C30H50O
Molecular Weight 426.73
CAS Registry Number 101627-40-1
SMILES C=C(C)C1CCC2(C)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Nepeta hindostana Whole plants 0.003000% Planta Med 51, 521-523 (1985) 10.1055/s-2007-969582
Properties
HBA 1 HBD 1
HeavyAtoms 31 AlogP 8.02
TPSA 20.23 RotatableBonds 1
FractionCSP3 0.93 Rings 5
AromaticRings 0 AliphaticRings 5