TPCN01926

Name 3-Oxo-6??-hydroxy-eudesma-4(5),11(13)-dien-12,8??-olide
Molecular Formula C15H18O4
Molecular Weight 262.31
CAS Registry Number 1417896-49-1
SMILES C=C1C(=O)OC2CC3(C)CCC(=O)C(C)=C3C(O)C12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Inula hupehensis Aerial parts 0.000049% Planta Med 78(10): 1002-1009.(2012) 10.1055/s-0031-1298621
Properties
HBA 4 HBD 1
HeavyAtoms 19 AlogP 1.53
TPSA 63.60 RotatableBonds 0
FractionCSP3 0.60 Rings 3
AromaticRings 0 AliphaticRings 3