TPCN01955

Name 2-desoxy-4-epi-pulchellin
Molecular Formula C15H22O3
Molecular Weight 250.34
CAS Registry Number 122872-03-1
SMILES C=C1C(=O)OC2CC(C)C3CCC(O)C3(C)CC12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Carpesium abrotanoides Whole plants 0.000359% Natural Product Research, (2021). 10.1080/14786419.2021.1955881
Solanaceae Carpesium abrotanoides Whole plants 0.000040% Fitoterapia 127: 349-355.(2018) 10.1016/j.fitote.2018.03.015
Properties
HBA 3 HBD 1
HeavyAtoms 18 AlogP 2.29
TPSA 46.53 RotatableBonds 0
FractionCSP3 0.80 Rings 3
AromaticRings 0 AliphaticRings 3