Chem
J-GLOBAL ID:200907050932231635   Nikkaji number:J2.604.363H

2,2,2-Trichloroacetimidic acid 2-[(9H-fluorene-9-ylmethoxycarbonyl)amino]-3-O-[(R)-3-(benzyloxy)dodecanoyl]-4-O,6-O-isopropylidene-2-deoxy-D-glucopyranosyl ester

2,2,2-トリクロロアセトイミド酸2-[(9H-フルオレン-9-イルメトキシカルボニル)アミノ]-3-O-[(R)-3-(ベンジルオキシ)ドデカノイル]-4-O,6-O-イソプロピリデン-2-デオキシ-D-グルコピラノシル
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: C45H55Cl3N2O9
Molecular formula furigana: C45-H55-CL3-N2-O9
Molecular weight: 874.290
InChI: InChI=1S/C45H55Cl3N2O9/c1-4-5-6-7-8-9-13-20-30(53-26-29-18-11-10-12-19-29)25-37(51)57-40-38(41(58-42(49)45(46,47)48)56-36-28-55-44(2,3)59-39(36)40)50-43(52)54-27-35-33-23-16-14-21-31(33)32-22-15-17-24-34(32)35/h10-12,14-19,21-24,30,35-36,38-41,49H,4-9,13,20,25-28H2,1-3H3,(H,50,52)/t30-,36-,38-,39-,40-,41?/m1/s1
InChI key: YSWACQFGENXZNP-DFQLBADRSA-N
SMILES: CCCCCCCCC[C@H](CC(=O)O[C@@H]1[C@@H](NC(=O)OCC2c3ccccc3c3ccccc23)C(OC(=N)C(Cl)(Cl)Cl)O[C@@H]2COC(C)(C)O[C@@H]12)OCc1ccccc1
Systematic name  (3):
  • 2,2,2-トリクロロアセトイミド酸2-[(9H-フルオレン-9-イルメトキシカルボニル)アミノ]-3-O-[(R)-3-(ベンジルオキシ)ドデカノイル]-4-O,6-O-イソプロピリデン-2-デオキシ-D-グルコピラノシル
  • (4aR,7R,8R,8aS)-7-({[(9H-フルオレン-9-イル)メトキシ]カルボニル}アミノ)-2,2-ジメチル-6-[(2,2,2-トリクロロエタンイミドイル)オキシ]-ヘキサヒドロ-2H-ピラノ[3,2-d][1,3]ジオキシン-8-イル (3R)-3-(ベンジルオキシ)ドデカノアート
  • (4aR,7R,8R,8aS)-7-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2,2-dimethyl-6-[(2,2,2-trichloroethanimidoyl)oxy]-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-8-yl (3R)-3-(benzyloxy)dodecanoate
Other name (1):
  • 2,2,2-Trichloroacetimidic acid 2-[(9H-fluorene-9-ylmethoxycarbonyl)amino]-3-O-[(R)-3-(benzyloxy)dodecanoyl]-4-O,6-O-isopropylidene-2-deoxy-D-glucopyranosyl ester
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