TPCN01379

Name 1beta-hydroxy-8alphaH-eremophil-7(11),9-dien-8beta,12-olide
Molecular Formula C15H20O3
Molecular Weight 248.32
CAS Registry Number 849700-43-2
SMILES CC1=C2CC3(C)C(=CC2OC1=O)C(O)CCC3C
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Senecio aegyptius Aerial parts 0.000600% J Nat Prod 68(3): 439-442.(2005) 10.1021/np049732l
Properties
HBA 3 HBD 1
HeavyAtoms 18 AlogP 2.36
TPSA 46.53 RotatableBonds 0
FractionCSP3 0.67 Rings 3
AromaticRings 0 AliphaticRings 3