TPCN01634

Name Inulanolides B
Molecular Formula C32H40O7
Molecular Weight 536.67
CAS Registry Number 888941-87-5
SMILES C=C1C(=O)OC2CC(C)C34CC5(C(=O)OC6C=C(C)CCC=C(C)CC(O)C65)C(C(C)=C3CC12)C4OC(C)=O
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Inula britannica Aerial parts 0.000249% Planta Med 72(1): 40-45.(2006) 10.1055/s-2005-873189
Properties
HBA 7 HBD 1
HeavyAtoms 39 AlogP 4.75
TPSA 99.13 RotatableBonds 1
FractionCSP3 0.66 Rings 6
AromaticRings 0 AliphaticRings 6