TPCN00918

Name Tetraneurin E
Molecular Formula C17H24O6
Molecular Weight 324.37
CAS Registry Number 25383-30-6
SMILES C=C1C(=O)OC2C1CCC(CO)C1(O)CCC(OC(C)=O)C21C
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Parthenium hysterophorus Aerial parts 0.010000% Phytochemistry 55(7): 769-772.(2000) 10.1016/s0031-9422(00)00288-0
Properties
HBA 6 HBD 2
HeavyAtoms 23 AlogP 0.95
TPSA 93.06 RotatableBonds 2
FractionCSP3 0.76 Rings 3
AromaticRings 0 AliphaticRings 3