TPCN03377

Name Caryopterisoid F
Molecular Formula C20H28O3
Molecular Weight 316.44
CAS Registry Number 2738343-52-5
SMILES CC1=CC(=O)OC1CC1(C)C(C)CCC2(C)C(C=O)=CCCC21
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Caryopteris glutinosa Whole plants 0.000037% None 10.1016/j.phytochem.2020.112534
Properties
HBA 3 HBD 0
HeavyAtoms 23 AlogP 4.23
TPSA 43.37 RotatableBonds 3
FractionCSP3 0.70 Rings 3
AromaticRings 0 AliphaticRings 3