TPCN03385

Name Caryopterisoid N
Molecular Formula C23H40O5
Molecular Weight 396.57
CAS Registry Number 2738369-64-5
SMILES COC(CC(C)(CCC1(C)C(C)CCC2(C)C(C(=O)O)=CCCC21)OC)OC
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Caryopteris glutinosa Whole plants 0.000032% None 10.1016/j.phytochem.2020.112534
Properties
HBA 5 HBD 1
HeavyAtoms 28 AlogP 5.04
TPSA 64.99 RotatableBonds 9
FractionCSP3 0.87 Rings 2
AromaticRings 0 AliphaticRings 2