Chem
J-GLOBAL ID：200907008689332936   Nikkaji number：J797.578C

Fasicularin

ファシクラリン
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： C20H34N2S
Molecular formula furigana： C20-H34-N2-S
Molecular weight： 334.570
InChI： InChI=1S/C20H34N2S/c1-2-3-4-5-9-18-11-10-17-8-6-7-13-20(17)14-12-19(23-16-21)15-22(18)20/h17-19H,2-15H2,1H3/t17-,18-,19+,20-/m1/s1
InChI key： VMURKEGWZZKIHB-YSTOQKLRSA-N
SMILES： CCCCCC[C@@H]1CC[C@H]2CCCC[C@]32CC[C@@H](CN13)SC#N
Systematic name  (3)：
  • [(5S,8aR,12aR)-(6α-ヘキシルドデカヒドロベンゾ[i]キノリジン)-3α-イル]チオシアナート
  • {[(3S,6R,8aR,12aR)-6-ヘキシル-ドデカヒドロピリド[2,1-f307696]キノリン-3-イル]スルファニル}ホルモニトリル
  • {[(3S,6R,8aR,12aR)-6-hexyl-dodecahydropyrido[2,1-f307696]quinolin-3-yl]sulfanyl}formonitrile
Other name (3)：
  • ファシクラリン
  • Fasicularin
  • [(5S,8aR,12aR)-(6α-Hexyldodecahydrobenzo[i]quinolizin)-3α-yl] thiocyanate
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