TPCN02629

Name Sugiol
Molecular Formula C20H28O2
Molecular Weight 300.44
CAS Registry Number 511-05-7
SMILES CC(C)c1cc2c(cc1O)C1(C)CCCC(C)(C)C1CC2=O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Salvia digitaloides Roots 0.000510% J Agric Food Chem 58, 12157-12161 (2010). 10.1021/jf103366g
Properties
HBA 2 HBD 1
HeavyAtoms 22 AlogP 5.19
TPSA 37.30 RotatableBonds 1
FractionCSP3 0.65 Rings 3
AromaticRings 1 AliphaticRings 2