Chem
J-GLOBAL ID：201407017115959190   Nikkaji number：J3.310.846J

3β,4β-Dihydroxy-5aα-(2-oxo-2-methoxyethyl)-8-oxo-2,3,4,4aβ,5a,6,7,8,8aα,8bβ-decahydro-1H-pyrrolo[3′,4′:4,5]furo[3,2-b]pyridine-1,6α-dicarboxylic acid 1-tert-butyl 6-methyl ester

3β,4β-ジヒドロキシ-5aα-(2-オキソ-2-メトキシエチル)-8-オキソ-2,3,4,4aβ,5a,6,7,8,8aα,8bβ-デカヒドロ-1H-ピロロ[3′,4′:4,5]フロ[3,2-b]ピリジン-1,6α-ジカルボン酸1-tert-ブチル6-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： C19H28N2O10
Molecular formula furigana： C19-H28-N2-O10
Molecular weight： 444.437
InChI： InChI=1S/C19H28N2O10/c1-18(2,3)31-17(27)21-7-8(22)12(24)13-11(21)10-15(25)20-14(16(26)29-5)19(10,30-13)6-9(23)28-4/h8,10-14,22,24H,6-7H2,1-5H3,(H,20,25)/t8-,10-,11+,12-,13-,14+,19-/m1/s1
InChI key： QMMQYGCNOJPITE-ROQHYNCJSA-N
SMILES： COC(=O)C[C@@]12O[C@@H]3[C@H]([C@@H]1C(=O)N[C@H]2C(=O)OC)N(C[C@@H](O)[C@H]3O)C(=O)OC(C)(C)C
Systematic name  (3)：
  • 3β,4β-ジヒドロキシ-5aα-(2-オキソ-2-メトキシエチル)-8-オキソ-2,3,4,4aβ,5a,6,7,8,8aα,8bβ-デカヒドロ-1H-ピロロ[3′,4′:4,5]フロ[3,2-b]ピリジン-1,6α-ジカルボン酸1-tert-ブチル6-メチル
  • 12-tert-ブチル 5-メチル (1S,2S,5R,6R,8R,9R,10R)-9,10-ジヒドロキシ-6-(2-メトキシ-2-オキソエチル)-3-オキソ-7-オキサ-4,12-ジアザトリシクロ[6.4.0.02,6]ドデカン-5,12-ジカルボキシラート
  • 12-tert-butyl 5-methyl (1S,2S,5R,6R,8R,9R,10R)-9,10-dihydroxy-6-(2-methoxy-2-oxoethyl)-3-oxo-7-oxa-4,12-diazatricyclo[6.4.0.02,6]dodecane-5,12-dicarboxylate
Other name (1)：
  • 3β,4β-Dihydroxy-5aα-(2-oxo-2-methoxyethyl)-8-oxo-2,3,4,4aβ,5a,6,7,8,8aα,8bβ-decahydro-1H-pyrrolo[3′,4′:4,5]furo[3,2-b]pyridine-1,6α-dicarboxylic acid 1-tert-butyl 6-methyl ester
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