Chem
J-GLOBAL ID：200907036588823142   Nikkaji number：J17.757A

Pilorubrosin

ピロルブロシン
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： C20H22O9
Molecular formula furigana： C20-H22-O9
Molecular weight： 406.387
InChI： InChI=1S/C20H22O9/c21-9-11-6-7-14(13(22)8-11)28-20-18(25)17(24)16(23)15(29-20)10-27-19(26)12-4-2-1-3-5-12/h1-8,15-18,20-25H,9-10H2/t15-,16-,17-,18-,20-/m1/s1
InChI key： KEEVEMYXIXMZSC-HGJKNBTDSA-N
SMILES： OCc1ccc(O[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](O)[C@@H](O)[C@H]2O)c(O)c1
Systematic name  (3)：
  • [2-ヒドロキシ-4-(ヒドロキシメチル)フェニル]6-O-フェニルカルボニル-β-D-アロピラノシド
  • [(2R,3S,4R,5R,6S)-3,4,5-トリヒドロキシ-6-[2-ヒドロキシ-4-(ヒドロキシメチル)フェノキシ]オキサン-2-イル]メチル ベンゾアート
  • [(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-4-(hydroxymethyl)phenoxy]oxan-2-yl]methyl benzoate
Other name (3)：
  • ピロルブロシン
  • Pilorubrosin
  • [2-Hydroxy-4-(hydroxymethyl)phenyl]6-O-phenylcarbonyl-β-D-allopyranoside
CAS registry number： 33993-68-9
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