Chem
J-GLOBAL ID：200907051527460054   Nikkaji number：J2.066.618H

(1S,2S,5S,6S,7R,8S)-13-Isothiocyanatocubebane

(1S,2S,5S,6S,7R,8S)-13-イソチオシアナトクベバン
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： C16H25NS
Molecular formula furigana： C16-H25-N-S
Molecular weight： 263.440
InChI： InChI=1S/C16H25NS/c1-10-7-8-16-11(2)5-6-12(14(16)13(10)16)15(3,4)17-9-18/h10-14H,5-8H2,1-4H3/t10-,11-,12-,13+,14+,16-/m0/s1
InChI key： PFDINSDEWOBSRZ-HFVXDEDMSA-N
SMILES： C[C@H]1CC[C@]23[C@H]1[C@H]2[C@H](CC[C@@H]3C)C(C)(C)N=C=S
Systematic name  (3)：
  • (1S,4S,4aS,5R,6S,8aS)-5,8a-シクロ-4-(1-イソチオシアナト-1-メチルエチル)-1,6-ジメチル-1,2,3,4,4a,5,6,7,8,8a-デカヒドロナフタレン
  • (1S,4S,5R,6S,7S,10S)-7-(2-イソチオシアナトプロパン-2-イル)-4,10-ジメチルトリシクロ[4.4.0.01,5]デカン
  • (1S,4S,5R,6S,7S,10S)-7-(2-isothiocyanatopropan-2-yl)-4,10-dimethyltricyclo[4.4.0.01,5]decane
Other name (3)：
  • (1S,4S,4aS,5R,6S,8aS)-5,8a-Cyclo-4-(1-isothiocyanato-1-methylethyl)-1,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
  • (1S,2S,5S,6S,7R,8S)-13-イソチオシアナトクベバン
  • (1S,2S,5S,6S,7R,8S)-13-Isothiocyanatocubebane
Thsaurus map：
Thesaurus Map

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