Chem
J-GLOBAL ID：200907003347879222   Nikkaji number：J670.502B

7-(6-Sulfo-2-acetylamino-2-deoxy-β-D-glucopyranosyloxy)-4-methyl-2H-1-benzopyran-2-one

2-オキソ-4-メチル-2H-1-ベンゾピラン-7-イル2-(アセチルアミノ)-6-スルホ-2-デオキシ-β-D-グルコピラノシド
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： C18H21NO11S
Molecular formula furigana： C18-H21-N-O11-S
Molecular weight： 459.420
InChI： InChI=1S/C18H21NO11S/c1-7-5-12(21)29-11-6-9(3-4-10(7)11)28-18-13(19-8(2)20)14(22)15(23)16(30-18)17(24)31(25,26)27/h3-6,13-18,22-24H,1-2H3,(H,19,20)(H,25,26,27)/t13-,14-,15+,16+,17?,18-/m1/s1
InChI key： XXZUPZOZADNORC-NVTHBOGBSA-N
SMILES： CC(=O)N[C@H]1[C@H](Oc2ccc3c(C)cc(=O)oc3c2)O[C@H](C(O)S(=O)(=O)O)[C@@H](O)[C@@H]1O
Systematic name  (4)：
  • 7-(6-スルホ-2-アセチルアミノ-2-デオキシ-β-D-グルコピラノシルオキシ)-4-メチル-2H-1-ベンゾピラン-2-オン
  • 2-オキソ-4-メチル-2H-1-ベンゾピラン-7-イル2-(アセチルアミノ)-6-スルホ-2-デオキシ-β-D-グルコピラノシド
  • [(2S,3S,4R,5R,6S)-5-アセトアミド-3,4-ジヒドロキシ-6-[(4-メチル-2-オキソ-2H-クロメン-7-イル)オキシ]オキサン-2-イル](ヒドロキシ)メタンスルホン酸
  • [(2S,3S,4R,5R,6S)-5-acetamido-3,4-dihydroxy-6-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]oxan-2-yl](hydroxy)methanesulfonic acid
Other name (2)：
  • 7-(6-Sulfo-2-acetylamino-2-deoxy-β-D-glucopyranosyloxy)-4-methyl-2H-1-benzopyran-2-one
  • 2-Oxo-4-methyl-2H-1-benzopyran-7-yl 2-(acetylamino)-6-sulfo-2-deoxy-β-D-glucopyranoside
Thsaurus map：
Thesaurus Map

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