Chem
J-GLOBAL ID:200907002825187149   Nikkaji number:J1.237.982J

4-[(β-D-Xylopyranosyloxy)methyl]dibenzothiophene 5,5-dioxide

4-[(β-D-キシロピラノシルオキシ)メチル]ジベンゾチオフェン5,5-ジオキシド
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: C18H18O5[O-]2[S+2]
Molecular formula furigana: C18-H18-O7-S
Molecular weight: 378.400
InChI: InChI=1S/C18H18O7S/c19-13-9-25-18(16(21)15(13)20)24-8-10-4-3-6-12-11-5-1-2-7-14(11)26(22,23)17(10)12/h1-7,13,15-16,18-21H,8-9H2/t13-,15+,16-,18-/m1/s1
InChI key: MDULNEMMLUTTSW-NOVWEMISSA-N
SMILES: O[C@@H]1CO[C@@H](OCc2cccc3c4ccccc4[S+2]([O-])([O-])c23)[C@H](O)[C@H]1O
Systematic name  (3):
  • 4-[(β-D-キシロピラノシルオキシ)メチル]ジベンゾチオフェン5,5-ジオキシド
  • 10-({[(2R,3R,4S,5R)-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}メチル)-8-チアトリシクロ[7.4.0.02,7]トリデカ-1(9),2,4,6,10,12-ヘキサエン-8,8-ジイウム-8,8-ビス(オラート)
  • 10-({[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)-8-thiatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-8,8-diium-8,8-bis(olate)
Other name (1):
  • 4-[(β-D-Xylopyranosyloxy)methyl]dibenzothiophene 5,5-dioxide
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