TPCN01148

Name Isoinuviscolide
Molecular Formula C15H20O3
Molecular Weight 248.32
CAS Registry Number 68582-97-8
SMILES C=C1C(=O)OC2C=C(C)C3CCC(C)(O)C3CC12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Inula montana Aerial parts 0.001756% Z Naturforsch C J Biosci 55(9-10): 697-700.(2000) 10.1515/znc-2000-9-1005
Properties
HBA 3 HBD 1
HeavyAtoms 18 AlogP 2.21
TPSA 46.53 RotatableBonds 0
FractionCSP3 0.67 Rings 3
AromaticRings 0 AliphaticRings 3