TPCN01400

Name Ferulaeolactone A
Molecular Formula C24H34O6
Molecular Weight 418.53
CAS Registry Number 1492061-64-9
SMILES CC(=CCCC1(C)OC(=O)C(C(=O)c2ccc(O)cc2O)C1C)CCCC(C)(C)O
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Ferula ferulaeoides Roots 0.000550% Planta Med 79(8): 701-706.(2013) 10.1055/s-0032-1328461
Properties
HBA 6 HBD 3
HeavyAtoms 30 AlogP 4.52
TPSA 104.06 RotatableBonds 9
FractionCSP3 0.58 Rings 2
AromaticRings 1 AliphaticRings 1