Chem
J-GLOBAL ID：200907069964160392   Nikkaji number：J1.455.699K

(3aR)-1-[(2S,6E)-2,5,5,8-Tetramethyl-1-oxo-6,8-nonadienyl]-8,8-dimethyl-1,4,5,6,7,7aβ-hexahydro-3H-3aα,6α-methano-2,1-benzisothiazole 2,2-dioxide

(1R,5S,7S)-10,10-ジメチル-4-[(2S,6E)-2,5,5,8-テトラメチルノナ-6,8-ジエノイル]-3-チア-4-アザトリシクロ[5.2.1.01,5]デカン-3,3-ジイウム-3,3-ビス(オラート)
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： C23H37NO[O-]2[S+2]
Molecular formula furigana： C23-H37-N-O3-S
Molecular weight： 407.610
InChI： InChI=1S/C23H37NO3S/c1-16(2)8-11-21(4,5)12-9-17(3)20(25)24-19-14-18-10-13-23(19,22(18,6)7)15-28(24,26)27/h8,11,17-19H,1,9-10,12-15H2,2-7H3/b11-8+/t17-,18-,19-,23-/m0/s1
InChI key： PEIRLSVCBLMDGL-FKJNFSFNSA-N
SMILES： C[C@@H](CCC(C)(C)/C=C/C(=C)C)C(=O)N1[C@H]2C[C@@H]3CC[C@@]2(C[S+2]1([O-])[O-])C3(C)C
Systematic name  (3)：
  • (3aR)-1-[(2S,6E)-2,5,5,8-テトラメチル-1-オキソ-6,8-ノナジエニル]-8,8-ジメチル-1,4,5,6,7,7aβ-ヘキサヒドロ-3H-3aα,6α-メタノ-2,1-ベンゾイソチアゾール2,2-ジオキシド
  • (1R,5S,7S)-10,10-ジメチル-4-[(2S,6E)-2,5,5,8-テトラメチルノナ-6,8-ジエノイル]-3-チア-4-アザトリシクロ[5.2.1.01,5]デカン-3,3-ジイウム-3,3-ビス(オラート)
  • (1R,5S,7S)-10,10-dimethyl-4-[(2S,6E)-2,5,5,8-tetramethylnona-6,8-dienoyl]-3-thia-4-azatricyclo[5.2.1.01,5]decane-3,3-diium-3,3-bis(olate)
Other name (1)：
  • (3aR)-1-[(2S,6E)-2,5,5,8-Tetramethyl-1-oxo-6,8-nonadienyl]-8,8-dimethyl-1,4,5,6,7,7aβ-hexahydro-3H-3aα,6α-methano-2,1-benzisothiazole 2,2-dioxide
Thsaurus map：
Thesaurus Map

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