Chem
J-GLOBAL ID:200907017956634849   Nikkaji number:J2.237.959C

(1S,9aα)-5-Oxo-8α-(trifluoromethylsulfonyloxy)-1β,4β-epoxyhexahydro-1H,3H-pyrrolo[2,1-c][1,4]oxazepine-3β-carboxylic acid methyl ester

(1S,9aα)-5-オキソ-8α-(トリフルオロメチルスルホニルオキシ)-1β,4β-エポキシヘキサヒドロ-1H,3H-ピロロ[2,1-c][1,4]オキサゼピン-3β-カルボン酸メチル
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: C11H12F3NO8S
Molecular formula furigana: C11-H12-F3-N-O8-S
Molecular weight: 375.270
InChI: InChI=1S/C11H12F3NO8S/c1-20-9(17)7-6-8(16)15-3-4(2-5(15)10(21-6)22-7)23-24(18,19)11(12,13)14/h4-7,10H,2-3H2,1H3/t4-,5+,6-,7-,10+/m1/s1
InChI key: RWPRLEFMVAAPOU-YRVBIBJRSA-N
SMILES: COC(=O)[C@@H]1O[C@@H]2O[C@H]1C(=O)N1C[C@@H](C[C@@H]21)OS(=O)(=O)C(F)(F)F
Systematic name  (3):
  • (1S,9aα)-5-オキソ-8α-(トリフルオロメチルスルホニルオキシ)-1β,4β-エポキシヘキサヒドロ-1H,3H-ピロロ[2,1-c][1,4]オキサゼピン-3β-カルボン酸メチル
  • メチル (1S,2S,4R,8R,9R)-7-オキソ-4-(トリフルオロメタンスルホニルオキシ)-10,11-ジオキサ-6-アザトリシクロ[6.2.1.02,6]ウンデカン-9-カルボキシラート
  • methyl (1S,2S,4R,8R,9R)-7-oxo-4-(trifluoromethanesulfonyloxy)-10,11-dioxa-6-azatricyclo[6.2.1.02,6]undecane-9-carboxylate
Other name (1):
  • (1S,9aα)-5-Oxo-8α-(trifluoromethylsulfonyloxy)-1β,4β-epoxyhexahydro-1H,3H-pyrrolo[2,1-c][1,4]oxazepine-3β-carboxylic acid methyl ester
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