TPCN01307

Name 11??, 13-dihydroxanthalongin
Molecular Formula C15H22O3
Molecular Weight 250.34
CAS Registry Number 129171-00-2
SMILES CC(=O)CCC1=CCC2C(CC1C)OC(=O)C2C
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Arnica amplexicaulis Flowers 0.000818% Planta Med 62(1): 39-41.(1996) 10.1055/s-2006-957793
Properties
HBA 3 HBD 0
HeavyAtoms 18 AlogP 2.89
TPSA 43.37 RotatableBonds 3
FractionCSP3 0.73 Rings 2
AromaticRings 0 AliphaticRings 2