Chem
J-GLOBAL ID：200907065614585115   Nikkaji number：J910.751G

(3aS,7aα)-Hexahydro-1-[1-oxo-5-(benzyloxy)-2-pentenyl]-8,8-dimethyl-3H-3aβ,6β-methano-2,1-benzisothiazole 2,2-dioxide

(3aS,7aα)-ヘキサヒドロ-1-[1-オキソ-5-(ベンジルオキシ)-2-ペンテニル]-8,8-ジメチル-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
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： C22H29NO2[O-]2[S+2]
Molecular formula furigana： C22-H29-N-O4-S
Molecular weight： 403.540
InChI： InChI=1S/C22H29NO4S/c1-21(2)18-11-12-22(21)16-28(25,26)23(19(22)14-18)20(24)10-6-7-13-27-15-17-8-4-3-5-9-17/h3-6,8-10,18-19H,7,11-16H2,1-2H3/t18-,19-,22-/m1/s1
InChI key： DJTYXNMGBJNZSD-WOIUINJBSA-N
SMILES： CC1(C)[C@@H]2CC[C@@]31C[S+2]([O-])([O-])N([C@@H]3C2)C(=O)C=CCCOCc1ccccc1
Systematic name  (3)：
  • (3aS,7aα)-1,4,5,6,7,7a-ヘキサヒドロ-1-[1-オキソ-5-(ベンジルオキシ)-2-ペンテニル]-8,8-ジメチル-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)-4-[5-(ベンジルオキシ)ペンタ-2-エノイル]-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-ジイウム-3,3-ビス(オラート)
  • (1S,5R,7R)-4-[5-(benzyloxy)pent-2-enoyl]-10,10-dimethyl-3-thia-4-azatricyclo[5.2.1.01,5]decane-3,3-diium-3,3-bis(olate)
Other name (3)：
  • (3aS,7aα)-Hexahydro-1-[1-oxo-5-(benzyloxy)-2-pentenyl]-8,8-dimethyl-3H-3aβ,6β-methano-2,1-benzisothiazole 2,2-dioxide
  • (3aS,7aα)-ヘキサヒドロ-1-[1-オキソ-5-(ベンジルオキシ)-2-ペンテニル]-8,8-ジメチル-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
  • (3aS,7aα)-1,4,5,6,7,7a-Hexahydro-1-[1-oxo-5-(benzyloxy)-2-pentenyl]-8,8-dimethyl-3H-3aβ,6β-methano-2,1-benzoisothiazole 2,2-dioxide
Thsaurus map：
Thesaurus Map

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