TPCN01133

Name Inulanolides C
Molecular Formula C32H40O7
Molecular Weight 536.67
CAS Registry Number 888941-88-6
SMILES C=C1CC2OC(=O)C3(CC45C(=C(C)C3C4OC(C)=O)CC3C(=C)C(=O)OC3CC5C)C2C=C1C(C)CCCO
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Apiaceae Inula britannica Aerial parts 0.001916% Planta Med 72(1): 40-45.(2006) 10.1055/s-2005-873189
Properties
HBA 7 HBD 1
HeavyAtoms 39 AlogP 4.61
TPSA 99.13 RotatableBonds 5
FractionCSP3 0.66 Rings 6
AromaticRings 0 AliphaticRings 6