9alpha,11alpha-Sparteine-2,17-dione

HCID 6452071

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Basic information

CAS: 4697-83-0
Standard SMILES: O=C1[C@@H]2C[C@H](CN3C(=O)CCC[C@@H]23)[C@@H]2CCCCN12
InChIKey: HBYSMHYHSFSCED-NDBYEHHHSA-N
Molecular formula: C15H22N2O2
Average molar mass: 262.35 g/mol
Monoisotopic mass: 262.16812795

Overview

CID 6452071 has been reported in Thermopsis lanceolata, Lupinus albus, and Lupinus excubitus with data available.

Names & identifiers

Preferred name: 9alpha,11alpha-Sparteine-2,17-dione
IUPAC: (1R,2S,9R,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane-6,16-dione

Names & synonyms

DTXSID601969989alpha,11alpha-Sparteine-2,17-dioneNS00094750(7R,7aalpha,14abeta)-Dodecahydro-7alpha,14alpha-methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocine-6,11-dione

Database identifiers

CAS: 4697-83-0
PubChem CID: 6452071
DTXSID: DTXSID60196998

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 40.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 19
Formal charge: 0
Complexity: 422

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