TPCN02390

Name Rosmanol
Molecular Formula C20H26O5
Molecular Weight 346.42
CAS Registry Number 80225-53-2
SMILES CC(C)c1cc2c(c(O)c1O)C13CCCC(C)(C)C1C(OC3=O)C2O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Rosmarinus officinalis Aerial parts 0.001800% Phytochemistry 66, 1685-1690 (2005). 10.1016/j.phytochem.2005.04.041
Properties
HBA 5 HBD 3
HeavyAtoms 25 AlogP 3.26
TPSA 86.99 RotatableBonds 1
FractionCSP3 0.65 Rings 4
AromaticRings 1 AliphaticRings 3