TPCN03381

Name Caryopterisoid J
Molecular Formula C20H34O3
Molecular Weight 322.49
CAS Registry Number 2738369-38-3
SMILES CC(CCO)CCC1(C)C(C)CCC2(C)C(C(=O)O)=CCCC21
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Caryopteris glutinosa Whole plants 0.000069% None 10.1016/j.phytochem.2020.112534
Properties
HBA 3 HBD 2
HeavyAtoms 23 AlogP 4.65
TPSA 57.53 RotatableBonds 6
FractionCSP3 0.85 Rings 2
AromaticRings 0 AliphaticRings 2