TPCN01384

Name 11??, 13-dihydro-4H-xanthalongin
Molecular Formula C15H24O3
Molecular Weight 252.35
CAS Registry Number 129171-01-3
SMILES CC(O)CCC1=CCC2C(CC1C)OC(=O)C2C
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Arnica amplexicaulis Flowers 0.000591% Planta Med 62(1): 39-41.(1996) 10.1055/s-2006-957793
Properties
HBA 3 HBD 1
HeavyAtoms 18 AlogP 2.68
TPSA 46.53 RotatableBonds 3
FractionCSP3 0.80 Rings 2
AromaticRings 0 AliphaticRings 2