TPCN00948

Name Inuloxins C
Molecular Formula C15H20O3
Molecular Weight 248.32
CAS Registry Number 1418196-97-0
SMILES C=C1C(=O)OC2CC3(C)C(=C)CCCC3(O)CC12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Inula viscosa Aerial parts 0.008000% Phytochemistry 86, 112-120.(2013) 10.1016/j.phytochem.2012.10.003
Properties
HBA 3 HBD 1
HeavyAtoms 18 AlogP 2.36
TPSA 46.53 RotatableBonds 0
FractionCSP3 0.67 Rings 3
AromaticRings 0 AliphaticRings 3