Chem
J-GLOBAL ID：201207004770786593   Nikkaji number：J3.071.031B

1-O,4-[(4′-Deoxy-α-maltose-4′,1-O-diyl)(4′-deoxy-α-maltose-4′,1-O-diyl)(4′-deoxy-α-maltose-4′,1-O-diyl)]-6-[4-[[3-(propargyloxy)phenoxy]methyl]-1H-1,2,3-triazole-1-yl]-4,6-dideoxy-α-D-glucopyranose

1-O,4-[(4′-デオキシ-α-マルトース-4′,1-O-ジイル)(4′-デオキシ-α-マルトース-4′,1-O-ジイル)(4′-デオキシ-α-マルトース-4′,1-O-ジイル)]-6-[4-[[3-(プロパルギルオキシ)フェノキシ]メチル]-1H-1,2,3-トリアゾール-1-イル]-4,6-ジデオキシ-α-D-グルコピラノース
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： C54H79N3O36
Molecular formula furigana： C54-H79-N3-O36
Molecular weight： 1346.211
InChI： InChI=1S/C54H79N3O36/c1-2-6-78-18-4-3-5-19(7-18)79-16-17-8-57(56-55-17)9-20-41-27(64)34(71)48(80-20)88-42-21(10-58)82-50(36(73)29(42)66)90-44-23(12-60)84-52(38(75)31(44)68)92-46-25(14-62)86-54(40(77)33(46)70)93-47-26(15-63)85-53(39(76)32(47)69)91-45-24(13-61)83-51(37(74)30(45)67)89-43-22(11-59)81-49(87-41)35(72)28(43)65/h1,3-5,7-8,20-54,58-77H,6,9-16H2/t20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-/m1/s1
InChI key： KNONUTIMYUDHBT-RJULKEFWSA-N
SMILES： OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](Cn7cc(COc8cccc(OCC#C)c8)nn7)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O
Systematic name  (3)：
  • 1-O,4-[(4′-デオキシ-α-マルトース-4′,1-O-ジイル)(4′-デオキシ-α-マルトース-4′,1-O-ジイル)(4′-デオキシ-α-マルトース-4′,1-O-ジイル)]-6-[4-[[3-(プロパルギルオキシ)フェノキシ]メチル]-1H-1,2,3-トリアゾール-1-イル]-4,6-ジデオキシ-α-D-グルコピラノース
  • (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30-ヘキサキス(ヒドロキシメチル)-35-[(4-{[3-(プロパ-2-イン-1-イルオキシ)フェノキシ]メチル}-1H-1,2,3-トリアゾール-1-イル)メチル]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-テトラデカオキサオクタシクロ[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]ノナテトラコンタン-36,37,38,39,40,41,42,43,44,45,46,47,48,49-テトラデカオール
  • (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30-hexakis(hydroxymethyl)-35-[(4-{[3-(prop-2-yn-1-yloxy)phenoxy]methyl}-1H-1,2,3-triazol-1-yl)methyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
Other name (1)：
  • 1-O,4-[(4′-Deoxy-α-maltose-4′,1-O-diyl)(4′-deoxy-α-maltose-4′,1-O-diyl)(4′-deoxy-α-maltose-4′,1-O-diyl)]-6-[4-[[3-(propargyloxy)phenoxy]methyl]-1H-1,2,3-triazole-1-yl]-4,6-dideoxy-α-D-glucopyranose
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