Chem
J-GLOBAL ID：200907044876137655   Nikkaji number：J2.357.761E

2-O-(1-Phenylimino-2,2,2-trifluoroethyl)-4-O,7-O,8-O,9-O-tetraacetyl-5-(1,3-dioxo-1,3-dihydro-2H-isoindole-2-yl)-3,5-dideoxy-β-D-glycero-D-galacto-2-nonulopyranosonic acid methyl ester

2-O-(1-フェニルイミノ-2,2,2-トリフルオロエチル)-4-O,7-O,8-O,9-O-テトラアセチル-5-(1,3-ジオキソ-1,3-ジヒドロ-2H-イソインドール-2-イル)-3,5-ジデオキシ-β-D-glycero-D-galacto-2-ノヌロピラノソン酸メチル
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： C34H33F3N2O14
Molecular formula furigana： C34-H33-F3-N2-O14
Molecular weight： 750.633
InChI： InChI=1S/C34H33F3N2O14/c1-17(40)48-16-25(50-19(3)42)27(51-20(4)43)28-26(39-29(44)22-13-9-10-14-23(22)30(39)45)24(49-18(2)41)15-33(52-28,32(46)47-5)53-31(34(35,36)37)38-21-11-7-6-8-12-21/h6-14,24-28H,15-16H2,1-5H3/t24-,25+,26+,27+,28+,33+/m0/s1
InChI key： GIOLOHNHMXVCBK-NUWJCFCOSA-N
SMILES： COC(=O)[C@@]1(C[C@H](OC(=O)C)[C@H]([C@@H](O1)[C@H](OC(=O)C)[C@@H](COC(=O)C)OC(=O)C)N1C(=O)c2ccccc2C1=O)OC(=Nc1ccccc1)C(F)(F)F
Systematic name  (3)：
  • 2-O-(1-フェニルイミノ-2,2,2-トリフルオロエチル)-4-O,7-O,8-O,9-O-テトラアセチル-5-(1,3-ジオキソ-1,3-ジヒドロ-2H-イソインドール-2-イル)-3,5-ジデオキシ-β-D-glycero-D-galacto-2-ノヌロピラノソン酸メチル
  • メチル (2R,4S,5R,6R)-4-(アセチルオキシ)-5-(1,3-ジオキソ-2,3-ジヒドロ-1H-イソインドール-2-イル)-2-[2,2,2-トリフルオロ-1-(フェニルイミノ)エトキシ]-6-[(1S,2R)-1,2,3-トリス(アセチルオキシ)プロピル]オキサン-2-カルボキシラート
  • methyl (2R,4S,5R,6R)-4-(acetyloxy)-5-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-2-[2,2,2-trifluoro-1-(phenylimino)ethoxy]-6-[(1S,2R)-1,2,3-tris(acetyloxy)propyl]oxane-2-carboxylate
Other name (1)：
  • 2-O-(1-Phenylimino-2,2,2-trifluoroethyl)-4-O,7-O,8-O,9-O-tetraacetyl-5-(1,3-dioxo-1,3-dihydro-2H-isoindole-2-yl)-3,5-dideoxy-β-D-glycero-D-galacto-2-nonulopyranosonic acid methyl ester
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