TPCN03379

Name Caryopterisoid H
Molecular Formula C22H32O4
Molecular Weight 360.49
CAS Registry Number 2738350-94-0
SMILES CC(=O)OCC1=CCCC2C1(C)CCC(C)C2(C)CC1OC(=O)C=C1C
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 4 HBD 0
HeavyAtoms 26 AlogP 4.59
TPSA 52.60 RotatableBonds 4
FractionCSP3 0.73 Rings 3
AromaticRings 0 AliphaticRings 3