Chem
J-GLOBAL ID:200907026927165405   Nikkaji number:J1.945.249B

Sulfemodin 8-O-β-D-glucoside

スルフェモジン8-O-β-D-グルコシド
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: C21H20O13S
Molecular formula furigana: C21-H20-O13-S
Molecular weight: 512.440
InChI: InChI=1S/C21H20O13S/c1-7-2-9-14(11(23)3-7)18(26)15-10(16(9)24)4-8(34-35(29,30)31)5-12(15)32-21-20(28)19(27)17(25)13(6-22)33-21/h2-5,13,17,19-23,25,27-28H,6H2,1H3,(H,29,30,31)/t13-,17-,19+,20-,21-/m1/s1
InChI key: YJQCYRDCKZTEMM-JNHRPPPUSA-N
SMILES: Cc1cc(O)c2C(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(OS(=O)(=O)O)cc3C(=O)c2c1
Systematic name  (3):
  • 8-(β-D-グルコピラノシルオキシ)-1-ヒドロキシ-3-メチル-6-(スルホオキシ)-9,10-アントラキノン
  • (5-ヒドロキシ-7-メチル-9,10-ジオキソ-4-{[(2S,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}-9,10-ジヒドロアントラセン-2-イル)オキシダンスルホン酸
  • (5-hydroxy-7-methyl-9,10-dioxo-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracen-2-yl)oxidanesulfonic acid
Other name (3):
  • 8-(β-D-Glucopyranosyloxy)-1-hydroxy-3-methyl-6-(sulfooxy)-9,10-anthraquinone
  • スルフェモジン8-O-β-D-グルコシド
  • Sulfemodin 8-O-β-D-glucoside
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