TPCN01111

Name Inulanolides A
Molecular Formula C34H44O9
Molecular Weight 596.72
CAS Registry Number 888941-86-4
SMILES C=C1C(=O)OC2CC(C)C34CC5(C(=O)OC6CC(C)=C(C(C)CCCOC(C)=O)C(O)C65)C(C(C)=C3CC12)C4OC(C)=O
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Inula britannica Aerial parts 0.002289% Planta Med 72(1): 40-45.(2006) 10.1055/s-2005-873189
Properties
HBA 9 HBD 1
HeavyAtoms 43 AlogP 4.37
TPSA 125.43 RotatableBonds 6
FractionCSP3 0.71 Rings 6
AromaticRings 0 AliphaticRings 6