TPCN02374

Name Royleanonic acid
Molecular Formula C20H26O5
Molecular Weight 346.42
CAS Registry Number 350590-46-4
SMILES CC(C)C1=C(O)C2=C(C(=O)C1=O)C1(C(=O)O)CCCC(C)(C)C1CC2
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Rosmarinus officinalis Aerial parts 0.002000% Phytochemistry 66, 1685-1690 (2005). 10.1016/j.phytochem.2005.04.041
Properties
HBA 5 HBD 2
HeavyAtoms 25 AlogP 3.59
TPSA 91.67 RotatableBonds 2
FractionCSP3 0.65 Rings 3
AromaticRings 0 AliphaticRings 3