TPCN01998

Name Japonicones F
Molecular Formula C32H42O8
Molecular Weight 554.68
CAS Registry Number 1228171-25-2
SMILES C=C1C(=O)OC2CC(C)C34CC5(C(=O)OC6CC7(C)C(O)CCC(C)C7(O)CC65)C(C(C)=C3CC12)C4OC(C)=O
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Inula japonica Aerial parts 0.000021% Planta Med 76(3): 278-283.(2010) 10.1055/s-0029-1186065
Properties
HBA 8 HBD 2
HeavyAtoms 40 AlogP 3.63
TPSA 119.36 RotatableBonds 1
FractionCSP3 0.78 Rings 7
AromaticRings 0 AliphaticRings 7