Chem
J-GLOBAL ID:200907007696003372
Nikkaji number:J1.733.964H
[(8aβ,12aS)-6β-Hexyldodecahydrobenzo[i]quinolizine-3β-yl] thiocyanate
[(8aβ,12aS)-6β-ヘキシルドデカヒドロベンゾ[i]キノリジン-3β-イル]チオシアナート
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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 H34 N2 S
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-/m0/s1
InChI key:
VMURKEGWZZKIHB-HAGHYFMRSA-N
SMILES:
CCCCCC[C@H]1CC[C@@H]2CCCC[C@@]32CC[C@H](CN13)SC#N
Systematic name (4):
[(8aβ,12aS)-6β-ヘキシルドデカヒドロベンゾ[i]キノリジン-3β-イル]チオシアナート
[(1S)-4α-ヘキシル-1β,9aα-ブタノオクタヒドロ-4H-キノリジン-7α-イル]チオシアナート
{[(3R,6S,8aS,12aS)-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
{[(3R,6S,8aS,12aS)-6-hexyl-dodecahydropyrido[2,1-f307696]quinolin-3-yl]sulfanyl}formonitrile
Other name (2):
[(8aβ,12aS)-6β-Hexyldodecahydrobenzo[i]quinolizine-3β-yl] thiocyanate
[(1S)-4α-Hexyl-1β,9aα-butanooctahydro-4H-quinolizine-7α-yl] thiocyanate
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