TPCN03382

Name Caryopterisoid K
Molecular Formula C20H30O3
Molecular Weight 318.46
CAS Registry Number 2738369-40-7
SMILES CC(=CC(=O)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 0.000016% None 10.1016/j.phytochem.2020.112534
Properties
HBA 3 HBD 1
HeavyAtoms 23 AlogP 4.78
TPSA 54.37 RotatableBonds 5
FractionCSP3 0.70 Rings 2
AromaticRings 0 AliphaticRings 2