TPCN01758

Name Ferulaeone H
Molecular Formula C38H56O5
Molecular Weight 592.86
CAS Registry Number 1418148-66-9
SMILES CC(C)=CCCC(C)=CCCC(C)=CCC(CC=C(C)C1CC(O)C(C)(CCC=C(C)C)O1)C(=O)c1ccc(O)cc1O
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Ferula ferulaeoides Roots 0.000140% Phytochemistry 86: 151-158.(2013) 10.1016/j.phytochem.2012.10.013
Properties
HBA 5 HBD 3
HeavyAtoms 43 AlogP 9.70
TPSA 86.99 RotatableBonds 16
FractionCSP3 0.55 Rings 2
AromaticRings 1 AliphaticRings 1