TPCN01558

Name Rupestonic acid G
Molecular Formula C15H22O4
Molecular Weight 266.34
CAS Registry Number 1622398-84-8
SMILES C=C(C(=O)O)C1CCC(C)C(CCC(C)=O)C(=O)C1
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Saussurea lappa Roots 0.000316% Planta Med 84(5): 329-335.(2018) 10.1055/s-0043-120115
Properties
HBA 4 HBD 1
HeavyAtoms 19 AlogP 2.62
TPSA 71.44 RotatableBonds 5
FractionCSP3 0.67 Rings 1
AromaticRings 0 AliphaticRings 1