Chem
J-GLOBAL ID：201407004617785809   Nikkaji number：J3.310.843E

1-(4-Nitrophenylsulfonyl)-5aα-(2-oxo-2-methoxyethyl)-8-oxo-2,4aβ,5a,6,7,8,8aα,8bβ-octahydro-1H-pyrrolo[3′,4′:4,5]furo[3,2-b]pyridine-6α-carboxylic acid methyl ester

メチル (1S,2S,5R,6R,8S)-6-(2-メトキシ-2-オキソエチル)-12-(4-ニトロベンゼンスルホニル)-3-オキソ-7-オキサ-4,12-ジアザトリシクロ[6.4.0.02,6]ドデカ-9-エン-5-カルボキシラート
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： C20H21N2[N+]O9[O-]S
Molecular formula furigana： C20-H21-N3-O10-S
Molecular weight： 495.460
InChI： InChI=1S/C20H21N3O10S/c1-31-14(24)10-20-15(18(25)21-17(20)19(26)32-2)16-13(33-20)4-3-9-22(16)34(29,30)12-7-5-11(6-8-12)23(27)28/h3-8,13,15-17H,9-10H2,1-2H3,(H,21,25)/t13-,15+,16+,17-,20+/m0/s1
InChI key： LDSHLTNOACNPRT-CXNWZFPZSA-N
SMILES： COC(=O)C[C@@]12O[C@H]3C=CCN([C@H]3[C@@H]1C(=O)N[C@H]2C(=O)OC)S(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
Systematic name  (3)：
  • 1-(4-ニトロフェニルスルホニル)-5aα-(2-オキソ-2-メトキシエチル)-8-オキソ-2,4aβ,5a,6,7,8,8aα,8bβ-オクタヒドロ-1H-ピロロ[3′,4′:4,5]フロ[3,2-b]ピリジン-6α-カルボン酸メチル
  • メチル (1S,2S,5R,6R,8S)-6-(2-メトキシ-2-オキソエチル)-12-(4-ニトロベンゼンスルホニル)-3-オキソ-7-オキサ-4,12-ジアザトリシクロ[6.4.0.02,6]ドデカ-9-エン-5-カルボキシラート
  • methyl (1S,2S,5R,6R,8S)-6-(2-methoxy-2-oxoethyl)-12-(4-nitrobenzenesulfonyl)-3-oxo-7-oxa-4,12-diazatricyclo[6.4.0.02,6]dodec-9-ene-5-carboxylate
Other name (1)：
  • 1-(4-Nitrophenylsulfonyl)-5aα-(2-oxo-2-methoxyethyl)-8-oxo-2,4aβ,5a,6,7,8,8aα,8bβ-octahydro-1H-pyrrolo[3′,4′:4,5]furo[3,2-b]pyridine-6α-carboxylic acid methyl ester
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