TPCN01882

Name Spiroalanfurantones A
Molecular Formula C20H26O5
Molecular Weight 346.42
CAS Registry Number 2622166-83-8
SMILES C=C1CCCC2(C)CC3OC(=O)C4(CC5OC4(C)C(=O)C5O)C3CC12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Inula helenium Roots 0.000067% Org Lett 21(23): 9478-9482.(2019) 10.1021/acs.orglett.9b03676
Properties
HBA 5 HBD 1
HeavyAtoms 25 AlogP 2.16
TPSA 72.83 RotatableBonds 0
FractionCSP3 0.80 Rings 5
AromaticRings 0 AliphaticRings 5