TPCN02030

Name 6??-hydroxy-8??H-secoeudesmanolide
Molecular Formula C15H20O3
Molecular Weight 248.32
CAS Registry Number 123257-54-5
SMILES C=CC1(C)CC2OC(=O)C(=C)C2C(O)C1C(=C)C
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Inula hupehensis Aerial parts 0.000013% Planta Med 78(10): 1002-1009.(2012) 10.1055/s-0031-1298621
Properties
HBA 3 HBD 1
HeavyAtoms 18 AlogP 2.23
TPSA 46.53 RotatableBonds 2
FractionCSP3 0.53 Rings 2
AromaticRings 0 AliphaticRings 2