Chem
J-GLOBAL ID：200907043837820872   Nikkaji number：J1.864.488F

(-)-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-/m1/s1
InChI key： SMOKZFNZPZHGMX-HSALFYBXSA-N
SMILES： C[C@H]1N[C@@H](CCCCCCCCCCCCC(=O)C)CC[C@H]1O
Systematic name  (3)：
  • 14-[(2S)-5β-ヒドロキシ-6β-メチルピペリジン-2β-イル]テトラデカン-2-オン
  • 14-[(2S,5R,6R)-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-[(2S,5R,6R)-5-hydroxy-6-methylpiperidin-2-yl]tetradecan-2-one
Other name (3)：
  • 14-[(2S)-5β-Hydroxy-6β-methylpiperidine-2β-yl]tetradecane-2-one
  • (-)-スペクタリン
  • (-)-Spectaline
Thsaurus map：
Thesaurus Map

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