TPCN02107

Name A trimeric sesquiterpene lactone
Molecular Formula C45H48O11
Molecular Weight 764.87
CAS Registry Number 2768013-24-5
SMILES C=C1C(=O)OC2C1CCC(=C)C1CC(=O)C(CCC3(O)C(=O)C4=C5C3C3OC(=O)C(=C)C3CCC5(O)CCC43C(=O)CC4C(=C)CCC5C(=C)C(=O)OC5C43)C12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Ainsliaea yunnanensis Aerial parts 0.000056% Natural Product Research, (2021). 10.1080/14786419.2021.1904924
Properties
HBA 11 HBD 2
HeavyAtoms 56 AlogP 4.32
TPSA 170.57 RotatableBonds 3
FractionCSP3 0.60 Rings 10
AromaticRings 0 AliphaticRings 10