Chem
J-GLOBAL ID：200907005012811200   Nikkaji number：J20.478A

Spectaline

スペクタリン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C20H39NO2
Molecular formula furigana： C20-H39-N-O2
Molecular weight： 325.537
InChI： InChI=1S/C20H39NO2/c1-17(22)13-11-9-7-5-3-4-6-8-10-12-14-19-15-16-20(23)18(2)21-19/h18-21,23H,3-16H2,1-2H3/t18-,19+,20-/m0/s1
InChI key： SMOKZFNZPZHGMX-ZCNNSNEGSA-N
SMILES： C[C@@H]1N[C@H](CCCCCCCCCCCCC(=O)C)CC[C@@H]1O
Systematic name  (3)：
  • 14-[(2R)-5α-ヒドロキシ-6α-メチルピペリジン-2α-イル]テトラデカン-2-オン
  • 14-[(2R,5S,6S)-5-ヒドロキシ-6-メチルピペリジン-2-イル]テトラデカン-2-オン
  • 14-[(2R,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]tetradecan-2-one
Other name (5)：
  • スペクタリン
  • Spectaline
  • 14-[(2R)-5α-Hydroxy-6α-methylpiperidin-2α-yl]tetradecan-2-one
  • (+)-スペクタリン
  • (+)-Spectaline
CAS registry number： 64384-95-8
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