TPCN01875

Name 4-Acetoxy-4H-tomentosin
Molecular Formula C17H24O4
Molecular Weight 292.38
CAS Registry Number 1350721-07-1
SMILES C=C1C(=O)OC2CC(C)C(CCC(C)OC(C)=O)=CCC12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Inula caspica Aerial parts 0.000068% Eur J Med Chem 46(11): 5408-5415.(2011) 10.1016/j.ejmech.2011.08.047
Properties
HBA 4 HBD 0
HeavyAtoms 21 AlogP 3.17
TPSA 52.60 RotatableBonds 4
FractionCSP3 0.65 Rings 2
AromaticRings 0 AliphaticRings 2