Chem
J-GLOBAL ID:200907068561063331
Nikkaji number:J2.067.218H
Iso-6-spectaline
イソ-6-スペクタリン
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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:
C20 H39 NO2
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-VAMGGRTRSA-N
SMILES:
C[C@H]1N[C@H](CCCCCCCCCCCCC(=O)C)CC[C@H]1O
Systematic name (4):
14-[(2R)-5β-ヒドロキシ-6β-メチルピペリジン-2α-イル]テトラデカン-2-オン
メチル12-[(2R,5R,6R)-5-ヒドロキシ-6-メチルピペリジン-2-イル]ドデシルケトン
14-[(2R,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-[(2R,5R,6R)-5-hydroxy-6-methylpiperidin-2-yl]tetradecan-2-one
Other name (6):
14-[(2R)-5β-Hydroxy-6β-methylpiperidine-2α-yl]tetradecane-2-one
イソ-6-スペクタリン
Iso-6-spectaline
Methyl 12-[(2R,5R,6R)-5-hydroxy-6-methylpiperidine-2-yl]dodecyl ketone
(-)-イソ-6-スペクタリン
(-)-Iso-6-Spectaline
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