Chem
J-GLOBAL ID：201507013573614200   Nikkaji number：J3.402.968G

1-O,4-[(4-Deoxy-α-D-glucopyranose-4,1-O-diyl)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)(6-O-mesitylsulfonyl-4-deoxy-α-D-glucopyranose-4,1-O-diyl)(6-O-mesitylsulfonyl-4-deoxy-α-D-glucopyranose-4,1-O-diyl)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)]-6-O-mesitylsulfonyl-4-deoxy-α-D-glucopyranose

1-O,4-[(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-4,1-O-ジイル)(6-O-メシチルスルホニル-4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(6-O-メシチルスルホニル-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-4,1-O-ジイル)]-6-O-メシチルスルホニル-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： C75H110O46S3
Molecular formula furigana： C75-H110-O46-S3
Molecular weight： 1843.840
InChI： InChI=1S/C75H110O46S3/c1-24-10-27(4)65(28(5)11-24)122(97,98)103-21-38-62-46(86)54(94)73(111-38)117-60-36(19-79)107-69(50(90)42(60)82)114-57-33(16-76)106-68(49(89)41(57)81)115-58-34(17-77)110-72(53(93)45(58)85)120-63-39(22-104-123(99,100)66-29(6)12-25(2)13-30(66)7)113-75(56(96)48(63)88)121-64-40(23-105-124(101,102)67-31(8)14-26(3)15-32(67)9)112-74(55(95)47(64)87)118-61-37(20-80)108-70(51(91)43(61)83)116-59-35(18-78)109-71(119-62)52(92)44(59)84/h10-15,33-64,68-96H,16-23H2,1-9H3/t33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,68-,69-,70-,71-,72-,73-,74-,75-/m1/s1
InChI key： QFISOHIYMUXJIJ-LSOLMDDCSA-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](CO)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](COS(=O)(=O)c8c(C)cc(C)cc8C)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@@H]9[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]9O)[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-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-4,1-O-ジイル)(6-O-メシチルスルホニル-4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(6-O-メシチルスルホニル-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-4,1-O-ジイル)]-6-O-メシチルスルホニル-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,36S,38R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R,50R,51R,52R,53R,54R,55R,56R)-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-ヘキサデカヒドロキシ-10,15,30,35,40-ペンタキス(ヒドロキシメチル)-20,25-ビス({[(2,4,6-トリメチルベンゼンスルホニル)オキシ]メチル})-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-ヘキサデカオキサノナシクロ[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]ヘキサペンタコンタン-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,36S,38R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R,50R,51R,52R,53R,54R,55R,56R)-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecahydroxy-10,15,30,35,40-pentakis(hydroxymethyl)-20,25-bis({[(2,4,6-trimethylbenzenesulfonyl)oxy]methyl})-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontan-5-yl]methyl 2,4,6-trimethylbenzene-1-sulfonate
Other name (1)：
  • 1-O,4-[(4-Deoxy-α-D-glucopyranose-4,1-O-diyl)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)(6-O-mesitylsulfonyl-4-deoxy-α-D-glucopyranose-4,1-O-diyl)(6-O-mesitylsulfonyl-4-deoxy-α-D-glucopyranose-4,1-O-diyl)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)]-6-O-mesitylsulfonyl-4-deoxy-α-D-glucopyranose
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