TPCN02163

Name 13-hydroxy-5(6),7(11)-eudesmadien-12,8-olide
Molecular Formula C15H20O3
Molecular Weight 248.32
CAS Registry Number 369383-23-3
SMILES CC1CCCC2(C)CC3OC(=O)C(CO)=C3C=C12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Inula helenium Roots 0.000080% Bioorganic Chemistry 114, (2021). 10.1016/j.bioorg.2021.105066
Properties
HBA 3 HBD 1
HeavyAtoms 18 AlogP 2.36
TPSA 46.53 RotatableBonds 1
FractionCSP3 0.67 Rings 3
AromaticRings 0 AliphaticRings 3