Chem
J-GLOBAL ID:200907088361298386   Nikkaji number:J2.118.225G

Methyl 2-O-(phenylcarbamoyl)-3-O,4-O-[(2S,4E,7S)-1,8-dioxo-2,7-dimethyl-4-octene-1,8-diyl]-α-D-glucopyranoside

メチル2-O-(フェニルカルバモイル)-3-O,4-O-[(2S,4E,7S)-1,8-ジオキソ-2,7-ジメチル-4-オクテン-1,8-ジイル]-α-D-グルコピラノシド
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: C24H31NO9
Molecular formula furigana: C24-H31-N-O9
Molecular weight: 477.510
InChI: InChI=1S/C24H31NO9/c1-14-9-7-8-10-15(2)22(28)33-19-18(32-21(14)27)17(13-26)31-23(30-3)20(19)34-24(29)25-16-11-5-4-6-12-16/h4-8,11-12,14-15,17-20,23,26H,9-10,13H2,1-3H3,(H,25,29)/b8-7+/t14-,15-,17+,18+,19-,20+,23-/m0/s1
InChI key: YDXGICWEVADDQU-PVLCBWSKSA-N
SMILES: CO[C@H]1O[C@H](CO)[C@H]2OC(=O)[C@@H](C)C/C=C/C[C@H](C)C(=O)O[C@@H]2[C@H]1OC(=O)Nc1ccccc1
Systematic name  (3):
  • メチル2-O-(フェニルカルバモイル)-3-O,4-O-[(2S,4E,7S)-1,8-ジオキソ-2,7-ジメチル-4-オクテン-1,8-ジイル]-α-D-グルコピラノシド
  • (3S,8S,10aR,11R,13S,14R,14aS)-11-(ヒドロキシメチル)-13-メトキシ-3,8-ジメチル-2,9-ジオキソ-2H,3H,4H,7H,8H,9H,10aH,11H,13H,14H,14aH-ピラノ[3,4-b]1,4-ジオキサシクロドデカン-14-イル N-フェニルカルバマート
  • (3S,8S,10aR,11R,13S,14R,14aS)-11-(hydroxymethyl)-13-methoxy-3,8-dimethyl-2,9-dioxo-2H,3H,4H,7H,8H,9H,10aH,11H,13H,14H,14aH-pyrano[3,4-b]1,4-dioxacyclododecan-14-yl N-phenylcarbamate
Other name (1):
  • Methyl 2-O-(phenylcarbamoyl)-3-O,4-O-[(2S,4E,7S)-1,8-dioxo-2,7-dimethyl-4-octene-1,8-diyl]-α-D-glucopyranoside
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