TPCN01264

Name 4 alpha,5 alpha-epoxy-10 alpha,14-dihydro-inuviscolide
Molecular Formula C15H20O3
Molecular Weight 248.32
CAS Registry Number 68776-54-5
SMILES C=C1C(=O)OC2CC(C)C3CCC4(C)OC34CC12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Canellaceae Carpesium abrotanoides Aerial parts 0.001033% Planta Med 68(8): 745-747.(2002) 10.1055/s-2002-33789
Properties
HBA 3 HBD 0
HeavyAtoms 18 AlogP 2.45
TPSA 38.83 RotatableBonds 0
FractionCSP3 0.80 Rings 4
AromaticRings 0 AliphaticRings 4