TPCN01008

Name Carabrolactone B
Molecular Formula C15H22O4
Molecular Weight 266.34
CAS Registry Number 1187925-31-0
SMILES C=C1C(=O)OC2CC(C)C3CCC(O)C3(C)C(O)C12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Carpesium abrotanoides Aerial parts 0.004150% Fitoterapia 80(1): 21-24.(2009) 10.1016/j.fitote.2008.09.009
Asteraceae Carpesium abrotanoides Whole plants 0.000057% Natural Product Research, (2021). 10.1080/14786419.2021.1955881
Asteraceae Carpesium abrotanoides Whole plants 0.000053% Fitoterapia 127: 349-355.(2018) 10.1016/j.fitote.2018.03.015
Properties
HBA 4 HBD 2
HeavyAtoms 19 AlogP 1.26
TPSA 66.76 RotatableBonds 0
FractionCSP3 0.80 Rings 3
AromaticRings 0 AliphaticRings 3