Chem
J-GLOBAL ID：200907061579263309   Nikkaji number：J2.113.205E

1-O,4-[[2α,8α-Bis(hydroxymethyl)-4α,5β-dihydroxy-2,3,4,4aα,5,6,8,8aα,9aα,10aβ-decahydro-1,7,9,10-tetraoxaanthracene-3β,6β-diyl]oxy(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)]-4-deoxy-α-D-glucopyranose

1-O,4-[[2α,8α-ビス(ヒドロキシメチル)-4α,5β-ジヒドロキシ-2,3,4,4aα,5,6,8,8aα,9aα,10aβ-デカヒドロ-1,7,9,10-テトラオキサアントラセン-3β,6β-ジイル]オキシ(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)]-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： C36H58O29
Molecular formula furigana： C36-H58-O29
Molecular weight： 954.831
InChI： InChI=1S/C36H58O29/c37-1-7-23-13(43)18(48)32(54-7)62-25-9(3-39)56-34(20(50)15(25)45)64-27-11(5-41)58-36-30(21(27)51)59-29-22(52)35(57-12(6-42)28(29)65-36)63-26-10(4-40)55-33(19(49)16(26)46)61-24-8(2-38)53-31(60-23)17(47)14(24)44/h7-52H,1-6H2/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-/m1/s1
InChI key： SDYBPKBJHWNFND-PSBPGJTRSA-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](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@@H]8O[C@H]1[C@H](O[C@@H]8[C@H]7O)[C@H]2O)[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-[[2α,8α-ビス(ヒドロキシメチル)-4α,5β-ジヒドロキシ-2,3,4,4aα,5,6,8,8aα,9aα,10aβ-デカヒドロ-1,7,9,10-テトラオキサアントラセン-3β,6β-ジイル]オキシ(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)]-4-デオキシ-α-D-グルコピラノース
  • (1S,3R,5R,6R,7R,9R,10R,12R,13S,15R,17R,18S,20R,22R,23S,25R,27R,28S,30R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41S,43R)-5,12,17,22,27,32-ヘキサキス(ヒドロキシメチル)-2,4,8,11,14,16,19,21,24,26,29,31,42-トリデカオキサオクタシクロ[28.2.2.215,18.220,23.225,28.13,7.16,10.19,13]トリテトラコンタン-33,34,35,36,37,38,39,40,41,43-デカオール
  • (1S,3R,5R,6R,7R,9R,10R,12R,13S,15R,17R,18S,20R,22R,23S,25R,27R,28S,30R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41S,43R)-5,12,17,22,27,32-hexakis(hydroxymethyl)-2,4,8,11,14,16,19,21,24,26,29,31,42-tridecaoxaoctacyclo[28.2.2.215,18.220,23.225,28.13,7.16,10.19,13]tritetracontane-33,34,35,36,37,38,39,40,41,43-decol
Other name (1)：
  • 1-O,4-[[2α,8α-Bis(hydroxymethyl)-4α,5β-dihydroxy-2,3,4,4aα,5,6,8,8aα,9aα,10aβ-decahydro-1,7,9,10-tetraoxaanthracene-3β,6β-diyl]oxy(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)]-4-deoxy-α-D-glucopyranose
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