TPCN03412

Name Cheodontoin D
Molecular Formula C20H32O4
Molecular Weight 336.47
CAS Registry Number 2696327-02-1
SMILES C=CC(C)(O)C(O)CC1C(=C)CCC2C(C)(C(=O)O)CCCC12C
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Chelonopsis odontochila Aerial parts 0.000088% None 10.1016/j.bioorg.2020.103571
Properties
HBA 4 HBD 3
HeavyAtoms 24 AlogP 3.54
TPSA 77.76 RotatableBonds 5
FractionCSP3 0.75 Rings 2
AromaticRings 0 AliphaticRings 2