TPCN03386

Name Caryopterisoid O
Molecular Formula C18H28O2
Molecular Weight 276.42
CAS Registry Number 2738369-70-3
SMILES CC(=O)CCC1(C)C(C)CCC2(C)C(C=O)=CCCC21
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Caryopteris glutinosa Whole plants 0.000064% None 10.1016/j.phytochem.2020.112534
Properties
HBA 2 HBD 0
HeavyAtoms 20 AlogP 4.33
TPSA 34.14 RotatableBonds 4
FractionCSP3 0.78 Rings 2
AromaticRings 0 AliphaticRings 2