Chem
J-GLOBAL ID:200907011078502284
Nikkaji number:J1.893.059E
1-O-(4-Methoxyphenyl)-2-(trichloroacetylamino)-2-deoxy-β-D-glucopyranose 3,6-dibenzoate
1-O-(4-メトキシフェニル)-2-(トリクロロアセチルアミノ)-2-デオキシ-β-D-グルコピラノース3,6-ジベンゾアート
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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:
C29 H26 Cl3 NO9
Molecular formula furigana:
C29-H26-CL3-N-O9
Molecular weight:
638.880
InChI:
InChI=1S/C29H26Cl3NO9/c1-38-19-12-14-20(15-13-19)40-27-22(33-28(37)29(30,31)32)24(42-26(36)18-10-6-3-7-11-18)23(34)21(41-27)16-39-25(35)17-8-4-2-5-9-17/h2-15,21-24,27,34H,16H2,1H3,(H,33,37)/t21-,22-,23-,24-,27-/m1/s1
InChI key:
RXXROKWWHWSLJG-XMPCBSOPSA-N
SMILES:
COc1ccc(O[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](O)[C@H](OC(=O)c3ccccc3)[C@H]2NC(=O)C(Cl)(Cl)Cl)cc1
Systematic name (3):
1-O-(4-メトキシフェニル)-2-(トリクロロアセチルアミノ)-2-デオキシ-β-D-グルコピラノース3,6-ジベンゾアート
[(2R,3S,4R,5R,6S)-4-(ベンゾイルオキシ)-3-ヒドロキシ-6-(4-メトキシフェノキシ)-5-(2,2,2-トリクロロアセトアミド)オキサン-2-イル]メチル ベンゾアート
[(2R,3S,4R,5R,6S)-4-(benzoyloxy)-3-hydroxy-6-(4-methoxyphenoxy)-5-(2,2,2-trichloroacetamido)oxan-2-yl]methyl benzoate
Other name (1):
1-O-(4-Methoxyphenyl)-2-(trichloroacetylamino)-2-deoxy-β-D-glucopyranose 3,6-dibenzoate
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