Chem
J-GLOBAL ID：200907066194528907   Nikkaji number：J15.459H

(-)-Cassine

(-)-カッシン
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： C18H35NO2
Molecular formula furigana： C18-H35-N-O2
Molecular weight： 297.483
InChI： InChI=1S/C18H35NO2/c1-15(20)11-9-7-5-3-4-6-8-10-12-17-13-14-18(21)16(2)19-17/h16-19,21H,3-14H2,1-2H3/t16-,17+,18-/m1/s1
InChI key： QPRMGHKASRLPJP-FGTMMUONSA-N
SMILES： C[C@H]1N[C@@H](CCCCCCCCCCC(=O)C)CC[C@H]1O
Systematic name  (3)：
  • (-)-12-[(2S)-5β-ヒドロキシ-6β-メチルピペリジン-2-イル]ドデカン-2-オン
  • 12-[(2S,5R,6R)-5-ヒドロキシ-6-メチルピペリジン-2-イル]ドデカン-2-オン
  • 12-[(2S,5R,6R)-5-hydroxy-6-methylpiperidin-2-yl]dodecan-2-one
Other name (5)：
  • カッシン【アルカロイド】
  • Cassine【Alkaloid】
  • (-)-カッシン
  • (-)-Cassine
  • (-)-12-[(2S)-5β-Hydroxy-6β-methylpiperidine-2-yl]dodecane-2-one
CAS registry number： 5227-24-7
KEGG COMPOUND： C10136
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