Chem
J-GLOBAL ID：200907038546236746   Nikkaji number：J1.455.698B

(3aR)-1-[(E)-5,5,8-Trimethyl-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-[(6E)-5,5,8-トリメチルノナ-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： C22H35NO[O-]2[S+2]
Molecular formula furigana： C22-H35-N-O3-S
Molecular weight： 393.590
InChI： InChI=1S/C22H35NO3S/c1-16(2)9-12-20(3,4)11-7-8-19(24)23-18-14-17-10-13-22(18,21(17,5)6)15-27(23,25)26/h9,12,17-18H,1,7-8,10-11,13-15H2,2-6H3/b12-9+/t17-,18-,22-/m0/s1
InChI key： MCZGTRMPMKZHEY-GRNXVZDMSA-N
SMILES： CC(=C)/C=C/C(C)(C)CCCC(=O)N1[C@H]2C[C@@H]3CC[C@@]2(C[S+2]1([O-])[O-])C3(C)C
Systematic name  (3)：
  • (3aR)-1-[(E)-5,5,8-トリメチル-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-[(6E)-5,5,8-トリメチルノナ-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-[(6E)-5,5,8-trimethylnona-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-[(E)-5,5,8-Trimethyl-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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