TPCN03279

Name 11,12-dihydroxy-8,11,13-icetexatrien-1-one
Molecular Formula C20H28O3
Molecular Weight 316.44
CAS Registry Number 1242328-58-0
SMILES CC(C)c1cc2c(c(O)c1O)CC1C(=O)CCC(C)(C)C1CC2
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Rosmarinus officinalis Aerial parts 0.010667% Planta Med 2010; 76: 629–632 10.1055/s-0029-1240629
Properties
HBA 3 HBD 2
HeavyAtoms 23 AlogP 4.33
TPSA 57.53 RotatableBonds 1
FractionCSP3 0.65 Rings 3
AromaticRings 1 AliphaticRings 2