TPCN03178

Name
Molecular Formula C28H42O3
Molecular Weight 426.64
CAS Registry Number 86363-50-0
SMILES CC(C)C(C)C=CC(C)C1CCC2C34C=CC5(CC(O)CCC5(C)C3=CCC12C)OO4
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Leonurus japonicus Whole plants 0.000035% Molecules 18, 13904-13909 (2013). 10.3390/molecules181113904
Properties
HBA 3 HBD 1
HeavyAtoms 31 AlogP 6.39
TPSA 38.69 RotatableBonds 4
FractionCSP3 0.79 Rings 6
AromaticRings 0 AliphaticRings 6