TPCN00875

Name Pulchellin E;Pulchellin-E
Molecular Formula C17H22O5
Molecular Weight 306.36
CAS Registry Number 22660-69-1
SMILES C=C1C(=O)OC2CC3(C)CC(O)C(OC(C)=O)C(=C)C3CC12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Inula oculus-christi Aerial parts 0.021000% Fitoterapia 74(5): 508-510.(2003) 10.1016/s0367-326x(03)00115-1
Asteraceae Inula montana Aerial parts 0.001305% Z Naturforsch C J Biosci 55(9-10): 697-700.(2000) 10.1515/znc-2000-9-1005
Properties
HBA 5 HBD 1
HeavyAtoms 22 AlogP 1.75
TPSA 72.83 RotatableBonds 1
FractionCSP3 0.65 Rings 3
AromaticRings 0 AliphaticRings 3