Chem
J-GLOBAL ID:200907050885082545   Nikkaji number:J2.585.416K

1-O,1′′-O,1′′′′-O-(Benzene-1,3,5-triyltrisethylene)tri-β-maltose

1-O,1′′-O,1′′′′-O-(ベンゼン-1,3,5-トリイルトリスエチレン)トリ-β-マルトース
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: C48H78O33
Molecular formula furigana: C48-H78-O33
Molecular weight: 1183.119
InChI: InChI=1S/C48H78O33/c49-10-19-25(55)28(58)34(64)46(73-19)79-40-22(13-52)76-43(37(67)31(40)61)70-4-1-16-7-17(2-5-71-44-38(68)32(62)41(23(14-53)77-44)80-47-35(65)29(59)26(56)20(11-50)74-47)9-18(8-16)3-6-72-45-39(69)33(63)42(24(15-54)78-45)81-48-36(66)30(60)27(57)21(12-51)75-48/h7-9,19-69H,1-6,10-15H2/t19-,20-,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-/m1/s1
InChI key: RDAHMJMQRAJPLZ-CMBRKRESSA-N
SMILES: OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OCCc3cc(CCO[C@@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)cc(CCO[C@@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)c3)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3):
  • 1-O,1′′-O,1′′′′-O-(ベンゼン-1,3,5-トリイルトリスエチレン)トリ-β-マルトース
  • (2R,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6R)-6-{2-[3,5-ビス(2-{[(2R,3R,4R,5S,6R)-3,4-ジヒドロキシ-6-(ヒドロキシメチル)-5-{[(2R,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}オキサン-2-イル]オキシ}エチル)フェニル]エトキシ}-4,5-ジヒドロキシ-2-(ヒドロキシメチル)オキサン-3-イル]オキシ}-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
  • (2R,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6R)-6-{2-[3,5-bis(2-{[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}ethyl)phenyl]ethoxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (1):
  • 1-O,1′′-O,1′′′′-O-(Benzene-1,3,5-triyltrisethylene)tri-β-maltose
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