TPCN01065

Name Inuloxins D
Molecular Formula C15H22O3
Molecular Weight 250.34
CAS Registry Number 1418196-98-1
SMILES C=C1C(=O)OC2CC(C(C)CCC(C)O)=CCC12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Inula viscosa Aerial parts 0.003000% Phytochemistry 86, 112-120.(2013) 10.1016/j.phytochem.2012.10.003
Properties
HBA 3 HBD 1
HeavyAtoms 18 AlogP 2.60
TPSA 46.53 RotatableBonds 4
FractionCSP3 0.67 Rings 2
AromaticRings 0 AliphaticRings 2