TPCN02057

Name Hupehenolide M
Molecular Formula C17H22O7
Molecular Weight 338.36
CAS Registry Number 1437506-07-4
SMILES C=C1C(=O)OC2C=C(C)C3C(OC(C)=O)CC(O)(CO)C3C(O)C12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Inula hupehensis Aerial parts 0.000008% Arch Pharm Res 36(11): 1319-1325.(2013) 10.1007/s12272-013-0135-1
Properties
HBA 7 HBD 3
HeavyAtoms 24 AlogP -0.30
TPSA 113.29 RotatableBonds 2
FractionCSP3 0.65 Rings 3
AromaticRings 0 AliphaticRings 3