TPCN01168

Name Carabrolactone A
Molecular Formula C15H22O5
Molecular Weight 282.34
CAS Registry Number 1187925-30-9
SMILES CC1C(=O)OC2CC3(C)OC3CC(O)C3(C)OC3CC21
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Carpesium abrotanoides Aerial parts 0.001600% Fitoterapia 80(1): 21-24.(2009) 10.1016/j.fitote.2008.09.009
Properties
HBA 5 HBD 1
HeavyAtoms 20 AlogP 1.02
TPSA 71.59 RotatableBonds 0
FractionCSP3 0.93 Rings 4
AromaticRings 0 AliphaticRings 4