TPCN01702

Name Inulanolides D
Molecular Formula C32H40O7
Molecular Weight 536.67
CAS Registry Number 888941-89-7
SMILES C=C1C(=O)OC2CC(C)C34CC(C(=O)O)(c5ccc(C)c(C(C)CCCO)c5)C(C(C)=C3CC12)C4OC(C)=O
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Inula britannica Aerial parts 0.000182% Planta Med 72(1): 40-45.(2006) 10.1055/s-2005-873189
Properties
HBA 7 HBD 2
HeavyAtoms 39 AlogP 4.99
TPSA 110.13 RotatableBonds 7
FractionCSP3 0.59 Rings 5
AromaticRings 1 AliphaticRings 4