TPCN03011

Name
Molecular Formula C28H44O3
Molecular Weight 428.66
CAS Registry Number 2061-64-5
SMILES CC(C)C(C)C=CC(C)C1CCC2C1(C)CCC1C23C=CC2(CC(O)CCC12C)OO3
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Leonurus japonicus Whole plants 0.000105% Molecules 18, 13904-13909 (2013). 10.3390/molecules181113904
Properties
HBA 3 HBD 1
HeavyAtoms 31 AlogP 6.47
TPSA 38.69 RotatableBonds 4
FractionCSP3 0.86 Rings 6
AromaticRings 0 AliphaticRings 6