Chem
J-GLOBAL ID：201407005934283092   Nikkaji number：J3.310.842G

1-(4-Nitrophenylsulfonyl)-5aα-(2-oxo-2-methoxyethyl)-7-(4-methoxybenzyl)-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

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)-7-(4-メトキシベンジル)-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
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： C28H29N2[N+]O10[O-]S
Molecular formula furigana： C28-H29-N3-O11-S
Molecular weight： 615.610
InChI： InChI=1S/C28H29N3O11S/c1-39-19-10-6-17(7-11-19)16-29-25(27(34)41-3)28(15-22(32)40-2)23(26(29)33)24-21(42-28)5-4-14-30(24)43(37,38)20-12-8-18(9-13-20)31(35)36/h4-13,21,23-25H,14-16H2,1-3H3/t21-,23+,24+,25-,28+/m0/s1
InChI key： JFGGJSLCNZQAPX-SBYGTGEQSA-N
SMILES： COC(=O)C[C@@]12O[C@H]3C=CCN([C@H]3[C@@H]1C(=O)N(Cc1ccc(OC)cc1)[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)-7-(4-メトキシベンジル)-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)-4-[(4-メトキシフェニル)メチル]-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)-4-[(4-methoxyphenyl)methyl]-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)-7-(4-methoxybenzyl)-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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