Chem
J-GLOBAL ID：200907050412237509
Nikkaji number：J1.136.709G
(3aS,7aα)-1-(3-Oxobutyryl)-8,8-dimethyloctahydro-3aβ,6β-methano-2,1-benzisothiazole 2,2-dioxide
(3aS,7aα)-1-(3-オキソブチリル)-8,8-ジメチルオクタヒドロ-3aβ,6β-メタノ-2,1-ベンゾイソチアゾール2,2-ジオキシド
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
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
Molecular formula： C14H21NO2[O-]2[S+2]
Molecular formula furigana： C14-H21-N-O4-S
Molecular weight： 299.390
InChI：
InChI=1S/C14H21NO4S/c1-9(16)6-12(17)15-11-7-10-4-5-14(11,13(10,2)3)8-20(15,18)19/h10-11H,4-8H2,1-3H3/t10-,11-,14-/m1/s1
InChI key：
ORQPXROGLJJODJ-JTNHKYCSSA-N
SMILES：
CC(=O)CC(=O)N1[C@@H]2C[C@H]3CC[C@]2(C[S+2]1([O-])[O-])C3(C)C
Systematic name (5)：
- (3aS,7aα)-1-(3-オキソブチリル)-8,8-ジメチルオクタヒドロ-3aβ,6β-メタノ-2,1-ベンゾイソチアゾール2,2-ジオキシド
- (1S,5R,7R)-4-(1,3-ジオキソブチル)-10,10-ジメチル-3-チア-4-アザトリシクロ[5.2.1.01,5]デカン3,3-ジオキシド
- (3aS,7aR)-1-(アセトアセチル)-8,8-ジメチル-1,4,5,6,7,7aα-ヘキサヒドロ-3H-3aβ,6β-メタノ-2,1-ベンゾイソチアゾール2,2-ジオキシド
- (1S,5R,7R)-10,10-ジメチル-4-(3-オキソブタノイル)-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)
- (1S,5R,7R)-10,10-dimethyl-4-(3-oxobutanoyl)-3-thia-4-azatricyclo[5.2.1.01,5]decane-3,3-diium-3,3-bis(olate)
- (3aS,7aα)-1-(3-Oxobutyryl)-8,8-dimethyloctahydro-3aβ,6β-methano-2,1-benzisothiazole 2,2-dioxide
- (1S,5R,7R)-4-(1,3-Dioxobutyl)-10,10-dimethyl-3-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide
- (3aS,7aR)-1-(Acetoacetyl)-8,8-dimethyl-1,4,5,6,7,7aα-hexahydro-3H-3aβ,6β-methano-2,1-benzisothiazole 2,2-dioxide
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