TPCN01335

Name 4beta,5alpha-epoxy-1(10),11(13)-germacradiene-8,12-olide
Molecular Formula C15H20O3
Molecular Weight 248.32
CAS Registry Number 109008-30-2
SMILES C=C1C(=O)OC2CC(C)=CCCC3(C)OC3CC12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Schisandraceae Inula helenium Roots 0.000693% Biol Pharm Bull 25(10): 1370-1372.(2002) 10.1248/bpb.25.1370
Properties
HBA 3 HBD 0
HeavyAtoms 18 AlogP 2.76
TPSA 38.83 RotatableBonds 0
FractionCSP3 0.67 Rings 3
AromaticRings 0 AliphaticRings 3