Chem
J-GLOBAL ID:200907050548632029   Nikkaji number:J895.268J

(2S,3R,4S,5S)-1-[2-(Ethoxycarbonyl)-3-oxo-3-ethoxy-1-propenyl]-5-[(S)-1-acetoxy-2-(benzoyloxy)ethyl]pyrrolidine-2,3,4-triol 2-acetate 3,4-dibenzoate

1,3-ジエチル 2-{[(2S,3R,4S,5S)-2-(アセチルオキシ)-5-[(1S)-1-(アセチルオキシ)-2-(ベンゾイルオキシ)エチル]-3,4-ビス(ベンゾイルオキシ)ピロリジン-1-イル]メチリデン}プロパンジオアート
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: C39H39NO14
Molecular formula furigana: C39-H39-N-O14
Molecular weight: 745.734
InChI: InChI=1S/C39H39NO14/c1-5-48-38(46)29(39(47)49-6-2)22-40-31(30(51-24(3)41)23-50-35(43)26-16-10-7-11-17-26)32(53-36(44)27-18-12-8-13-19-27)33(34(40)52-25(4)42)54-37(45)28-20-14-9-15-21-28/h7-22,30-34H,5-6,23H2,1-4H3/t30-,31+,32+,33-,34+/m1/s1
InChI key: BDBSJDCHMGCJJA-YODGASFJSA-N
SMILES: CCOC(=O)C(=CN1[C@@H](OC(=O)C)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1[C@@H](COC(=O)c1ccccc1)OC(=O)C)C(=O)OCC
Systematic name  (3):
  • (2S,3R,4S,5S)-1-[2-(エトキシカルボニル)-3-オキソ-3-エトキシ-1-プロペニル]-5-[(S)-1-アセトキシ-2-(ベンゾイルオキシ)エチル]ピロリジン-2,3,4-トリオール2-アセタート3,4-ジベンゾアート
  • 1,3-ジエチル 2-{[(2S,3R,4S,5S)-2-(アセチルオキシ)-5-[(1S)-1-(アセチルオキシ)-2-(ベンゾイルオキシ)エチル]-3,4-ビス(ベンゾイルオキシ)ピロリジン-1-イル]メチリデン}プロパンジオアート
  • 1,3-diethyl 2-{[(2S,3R,4S,5S)-2-(acetyloxy)-5-[(1S)-1-(acetyloxy)-2-(benzoyloxy)ethyl]-3,4-bis(benzoyloxy)pyrrolidin-1-yl]methylidene}propanedioate
Other name (1):
  • (2S,3R,4S,5S)-1-[2-(Ethoxycarbonyl)-3-oxo-3-ethoxy-1-propenyl]-5-[(S)-1-acetoxy-2-(benzoyloxy)ethyl]pyrrolidine-2,3,4-triol 2-acetate 3,4-dibenzoate
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