SPARTEINE-10,17-DIONE

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Keyword(s): Natural Toxins
Molecule Category Free-form
EPA CompTox DTXSID00967164

Structure

InChI Key BUJFCCGYEMOGKQ-UHFFFAOYSA-N
Smiles C1CCN2[C@H](C1)[C@H]3C[C@@H](C2=O)[C@@H]4CCCCN4C3=O
InChI
InChI=1S/C15H22N2O2/c18-14-10-9-11(13-6-2-4-8-17(13)14)15(19)16-7-3-1-5-12(10)16/h10-13H,1-9H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H22N2O2
Molecular Weight 262.17
AlogP 1.4
Hydrogen Bond Acceptor 2.0
Polar Surface Area 40.62
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 52717-73-4
NORMAN SUSDAT
PubChem 171191
ChemSpider 149662.0
CONTENTS