Chem
J-GLOBAL ID：200907028878576405   Nikkaji number：J1.899.700B

Spectamine A

スペクタミンA
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： C25H39NO3
Molecular formula furigana： C25-H39-N-O3
Molecular weight： 401.591
InChI： InChI=1S/C25H39NO3/c1-20(27)14-10-7-5-3-4-6-8-13-17-23-18-19-24(21(2)26-23)29-25(28)22-15-11-9-12-16-22/h9,11-12,15-16,21,23-24,26H,3-8,10,13-14,17-19H2,1-2H3/t21-,23-,24-/m1/s1
InChI key： PBWFBFJNCUAIQQ-GMKZXUHWSA-N
SMILES： C[C@H]1N[C@H](CCCCCCCCCCC(=O)C)CC[C@H]1OC(=O)c1ccccc1
Systematic name  (3)：
  • 安息香酸(2R,3R,6R)-2-メチル-6-(11-オキソドデシル)-3-ピペリジニル
  • (2R,3R,6R)-2-メチル-6-(11-オキソドデシル)ピペリジン-3-イル ベンゾアート
  • (2R,3R,6R)-2-methyl-6-(11-oxododecyl)piperidin-3-yl benzoate
Other name (3)：
  • Benzoic acid (2R,3R,6R)-2-methyl-6-(11-oxododecyl)-3-piperidinyl ester
  • Spectamine A
  • スペクタミンA
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