TPCN02292

Name Pinusolide
Molecular Formula C21H30O4
Molecular Weight 346.47
CAS Registry Number 31685-80-0
SMILES C=C1CCC2C(C)(C(=O)OC)CCCC2(C)C1CCC1=CCOC1=O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Pinaceae Pinus armandii Woods 0.003200% J Asian Nat Prod Res 7, 259-264 (2005). 10.1080/10286020410001690163
Properties
HBA 4 HBD 0
HeavyAtoms 25 AlogP 4.20
TPSA 52.60 RotatableBonds 4
FractionCSP3 0.71 Rings 3
AromaticRings 0 AliphaticRings 3