TPCN01003

Name Inuloxins B
Molecular Formula C15H22O3
Molecular Weight 250.34
CAS Registry Number 1418196-96-9
SMILES CC1=CCC2C(CC(C)CCC1=O)OC(=O)C2C
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Inula viscosa Aerial parts 0.004250% Phytochemistry 86, 112-120.(2013) 10.1016/j.phytochem.2012.10.003
Properties
HBA 3 HBD 0
HeavyAtoms 18 AlogP 2.89
TPSA 43.37 RotatableBonds 0
FractionCSP3 0.73 Rings 2
AromaticRings 0 AliphaticRings 2