TPCN02005

Name Japonicones H
Molecular Formula C32H42O8
Molecular Weight 554.68
CAS Registry Number 1228171-28-5
SMILES C=C1C(=O)OC2CC(C)C34CC5(C(=O)OC6CC(C)(O)C(C(C)CCCO)=CC65)C(C(C)=C3CC12)C4OC(C)=O
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Inula japonica Aerial parts 0.000019% Planta Med 76(3): 278-283.(2010) 10.1055/s-0029-1186065
Properties
HBA 8 HBD 2
HeavyAtoms 40 AlogP 3.80
TPSA 119.36 RotatableBonds 5
FractionCSP3 0.72 Rings 6
AromaticRings 0 AliphaticRings 6