Chem
J-GLOBAL ID：200907056599006244   Nikkaji number：J2.421.600D

1-O,4-[[6-O-[(2,4,6-Trimethylphenyl)sulfonyl]-4-deoxy-α-D-glucopyranose-4,1-O-diyl][6-O-[(2,4,6-trimethylphenyl)sulfonyl]-4-deoxy-α-D-glucopyranose-4,1-O-diyl](4-deoxy-α-D-glucopyranose-4,1-O-diyl)[6-O-[(2,4,6-trimethylphenyl)sulfonyl]-4-deoxy-α-D-glucopyranose-4,1-O-diyl][6-O-[(2,4,6-trimethylphenyl)sulfonyl]-4-deoxy-α-D-glucopyranose-4,1-O-diyl](4-deoxy-α-D-glucopyranose-4,1-O-diyl)]-4-deoxy-α-D-glucopyranose

1-O,4-[[6-O-[(2,4,6-トリメチルフェニル)スルホニル]-4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル][6-O-[(2,4,6-トリメチルフェニル)スルホニル]-4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル](4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)[6-O-[(2,4,6-トリメチルフェニル)スルホニル]-4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル][6-O-[(2,4,6-トリメチルフェニル)スルホニル]-4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル](4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)]-4-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： C78H110O43S4
Molecular formula furigana： C78-H110-O43-S4
Molecular weight： 1863.940
InChI： InChI=1S/C78H110O43S4/c1-28-13-32(5)68(33(6)14-28)122(96,97)104-24-43-64-52(87)59(94)77(113-43)121-67-46(27-107-125(102,103)71-38(11)19-31(4)20-39(71)12)112-76(58(93)51(67)86)117-63-42(23-81)110-74(56(91)49(63)84)119-65-44(25-105-123(98,99)69-34(7)15-29(2)16-35(69)8)114-78(60(95)53(65)88)120-66-45(26-106-124(100,101)70-36(9)17-30(3)18-37(70)10)111-75(57(92)50(66)85)116-62-41(22-80)108-72(54(89)47(62)82)115-61-40(21-79)109-73(118-64)55(90)48(61)83/h13-20,40-67,72-95H,21-27H2,1-12H3/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,72-,73-,74-,75-,76-,77-,78-/m1/s1
InChI key： KOZLAVUJBVSQGW-IIPOCSSASA-N
SMILES： Cc1cc(C)c(c(C)c1)S(=O)(=O)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](COS(=O)(=O)c6c(C)cc(C)cc6C)O[C@H](O[C@@H]6[C@@H](COS(=O)(=O)c7c(C)cc(C)cc7C)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](COS(=O)(=O)c9c(C)cc(C)cc9C)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-[[6-O-[(2,4,6-トリメチルフェニル)スルホニル]-4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル][6-O-[(2,4,6-トリメチルフェニル)スルホニル]-4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル](4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)[6-O-[(2,4,6-トリメチルフェニル)スルホニル]-4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル][6-O-[(2,4,6-トリメチルフェニル)スルホニル]-4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル](4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)]-4-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)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-テトラデカヒドロキシ-15,30,35-トリス(ヒドロキシメチル)-10,20,25-トリス({[(2,4,6-トリメチルベンゼンスルホニル)オキシ]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-5-イル]メチル 2,4,6-トリメチルベンゼン-1-スルホナート
  • [(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)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-15,30,35-tris(hydroxymethyl)-10,20,25-tris({[(2,4,6-trimethylbenzenesulfonyl)oxy]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]nonatetracontan-5-yl]methyl 2,4,6-trimethylbenzene-1-sulfonate
Other name (1)：
  • 1-O,4-[[6-O-[(2,4,6-Trimethylphenyl)sulfonyl]-4-deoxy-α-D-glucopyranose-4,1-O-diyl][6-O-[(2,4,6-trimethylphenyl)sulfonyl]-4-deoxy-α-D-glucopyranose-4,1-O-diyl](4-deoxy-α-D-glucopyranose-4,1-O-diyl)[6-O-[(2,4,6-trimethylphenyl)sulfonyl]-4-deoxy-α-D-glucopyranose-4,1-O-diyl][6-O-[(2,4,6-trimethylphenyl)sulfonyl]-4-deoxy-α-D-glucopyranose-4,1-O-diyl](4-deoxy-α-D-glucopyranose-4,1-O-diyl)]-4-deoxy-α-D-glucopyranose
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