Chem
J-GLOBAL ID:200907066194528907
Nikkaji number:J15.459H
(-)-Cassine
(-)-カッシン
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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:
C18 H35 NO2
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
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