Chem
J-GLOBAL ID:200907048989002263   Nikkaji number:J1.926.727J

(1S)-1α-Isopropyl-2-(2,4,6-trimethylphenylsulfonyl)-4,4-dimethyl-9-methylene-2,3,3aβ,4,9,9aα-hexahydro-1H-benzo[f]isoindole

(1S)-1α-イソプロピル-2-(2,4,6-トリメチルフェニルスルホニル)-4,4-ジメチル-9-メチレン-2,3,3aβ,4,9,9aα-ヘキサヒドロ-1H-ベンゾ[f]イソインドール
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: C27H35NO2S
Molecular formula furigana: C27-H35-N-O2-S
Molecular weight: 437.640
InChI: InChI=1S/C27H35NO2S/c1-16(2)25-24-20(6)21-11-9-10-12-22(21)27(7,8)23(24)15-28(25)31(29,30)26-18(4)13-17(3)14-19(26)5/h9-14,16,23-25H,6,15H2,1-5,7-8H3/t23-,24+,25-/m0/s1
InChI key: PADKZADEWWMRJU-GVAUOCQISA-N
SMILES: CC(C)[C@H]1[C@H]2[C@H](CN1S(=O)(=O)c1c(C)cc(C)cc1C)C(C)(C)c1ccccc1C2=C
Systematic name  (3):
  • (1S)-1α-イソプロピル-2-(2,4,6-トリメチルフェニルスルホニル)-4,4-ジメチル-9-メチレン-2,3,3aβ,4,9,9aα-ヘキサヒドロ-1H-ベンゾ[f]イソインドール
  • (1S,3aS,9aS)-4,4-ジメチル-9-メチリデン-1-(プロパン-2-イル)-2-(2,4,6-トリメチルベンゼンスルホニル)-1H,2H,3H,3aH,4H,9H,9aH-ベンゾ[f]イソインドール
  • (1S,3aS,9aS)-4,4-dimethyl-9-methylidene-1-(propan-2-yl)-2-(2,4,6-trimethylbenzenesulfonyl)-1H,2H,3H,3aH,4H,9H,9aH-benzo[f]isoindole
Other name (1):
  • (1S)-1α-Isopropyl-2-(2,4,6-trimethylphenylsulfonyl)-4,4-dimethyl-9-methylene-2,3,3aβ,4,9,9aα-hexahydro-1H-benzo[f]isoindole
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