TPCN01969

Name 11??,13-dihydrotomentosin
Molecular Formula C15H22O3
Molecular Weight 250.34
CAS Registry Number 1350570-29-4
SMILES CC(=O)CCC1=CCC2C(CC1C)OC(=O)C2C
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Inula hupehensis Aerial parts 0.000032% Planta Med 78(10): 1002-1009.(2012) 10.1055/s-0031-1298621
Properties
HBA 3 HBD 0
HeavyAtoms 18 AlogP 2.89
TPSA 43.37 RotatableBonds 3
FractionCSP3 0.73 Rings 2
AromaticRings 0 AliphaticRings 2