Chem
J-GLOBAL ID：200907001917209380   Nikkaji number：J2.113.209H

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[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

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[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
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： C42H66O33
Molecular formula furigana： C42-H66-O33
Molecular weight： 1098.957
InChI： InChI=1S/C42H66O33/c43-1-8-25-15(50)18(53)36(60-8)70-26-9(2-44)62-38(20(55)16(26)51)72-28-11(4-46)65-41-34(21(28)56)68-33-24(59)40(64-14(7-49)31(33)75-41)73-29-12(5-47)66-42-35(22(29)57)67-32-23(58)39(63-13(6-48)30(32)74-42)71-27-10(3-45)61-37(69-25)19(54)17(27)52/h8-59H,1-7H2/t8-,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-,37-,38-,39-,40-,41-,42-/m1/s1
InChI key： GRJSAVJWXDLELC-TVSIRTJDSA-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]7O[C@@H]8[C@@H](CO)O[C@H](O[C@@H]9[C@@H](CO)O[C@@H]%10O[C@H]1[C@H](O[C@@H]%10[C@H]9O)[C@H]2O)[C@H](O)[C@H]8O[C@@H]7[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[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
  • (1S,3R,5R,6R,7R,9R,10R,12R,13S,15R,17R,18R,19R,21R,22R,24R,25S,27R,29R,30S,32R,34R,35S,37R,39R,40R,41R,42R,43R,44R,45R,46S,48R,49S,51R)-5,12,17,24,29,34,39-ヘプタキス(ヒドロキシメチル)-2,4,8,11,14,16,20,23,26,28,31,33,36,38,47,50-ヘキサデカオキサデカシクロ[35.2.2.227,30.232,35.13,7.16,10.19,13.115,19.118,22.121,25]ヘンペンタコンタン-40,41,42,43,44,45,46,48,49,51-デカオール
  • (1S,3R,5R,6R,7R,9R,10R,12R,13S,15R,17R,18R,19R,21R,22R,24R,25S,27R,29R,30S,32R,34R,35S,37R,39R,40R,41R,42R,43R,44R,45R,46S,48R,49S,51R)-5,12,17,24,29,34,39-heptakis(hydroxymethyl)-2,4,8,11,14,16,20,23,26,28,31,33,36,38,47,50-hexadecaoxadecacyclo[35.2.2.227,30.232,35.13,7.16,10.19,13.115,19.118,22.121,25]henpentacontane-40,41,42,43,44,45,46,48,49,51-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[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
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