Chem
J-GLOBAL ID:200907019893015224
Nikkaji number:J1.695.962F
4-Methoxyphenyl 2-(trichloroacetylamino)-3-O,6-O-dipivaloyl-4-O-benzyl-2-deoxy-β-D-galactopyranoside
4-メトキシフェニル2-(トリクロロアセチルアミノ)-3-O,6-O-ジピバロイル-4-O-ベンジル-2-デオキシ-β-D-ガラクトピラノシド
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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:
C32 H40 Cl3 NO9
Molecular formula furigana:
C32-H40-CL3-N-O9
Molecular weight:
689.020
InChI:
InChI=1S/C32H40Cl3NO9/c1-30(2,3)28(38)42-18-22-24(41-17-19-11-9-8-10-12-19)25(45-29(39)31(4,5)6)23(36-27(37)32(33,34)35)26(44-22)43-21-15-13-20(40-7)14-16-21/h8-16,22-26H,17-18H2,1-7H3,(H,36,37)/t22-,23-,24+,25-,26-/m1/s1
InChI key:
TXQIEZHQKQBHDA-WSGIOKLISA-N
SMILES:
COc1ccc(O[C@@H]2O[C@H](COC(=O)C(C)(C)C)[C@H](OCc3ccccc3)[C@H](OC(=O)C(C)(C)C)[C@H]2NC(=O)C(Cl)(Cl)Cl)cc1
Systematic name (3):
4-メトキシフェニル2-(トリクロロアセチルアミノ)-3-O,6-O-ジピバロイル-4-O-ベンジル-2-デオキシ-β-D-ガラクトピラノシド
[(2R,3R,4R,5R,6S)-3-(ベンジルオキシ)-4-[(2,2-ジメチルプロパノイル)オキシ]-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 2,2-ジメチルプロパノアート
[(2R,3R,4R,5R,6S)-3-(benzyloxy)-4-[(2,2-dimethylpropanoyl)oxy]-6-(4-methoxyphenoxy)-5-(2,2,2-trichloroacetamido)oxan-2-yl]methyl 2,2-dimethylpropanoate
Other name (1):
4-Methoxyphenyl 2-(trichloroacetylamino)-3-O,6-O-dipivaloyl-4-O-benzyl-2-deoxy-β-D-galactopyranoside
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