Chem
J-GLOBAL ID：200907088085818982   Nikkaji number：J17.794F

Rubropilosin

ルブロピロシン
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： C22H24O9
Molecular formula furigana： C22-H24-O9
Molecular weight： 432.425
InChI： InChI=1S/C22H24O9/c23-11-14-6-8-16(15(24)10-14)30-22-21(28)20(27)19(26)17(31-22)12-29-18(25)9-7-13-4-2-1-3-5-13/h1-10,17,19-24,26-28H,11-12H2/t17-,19-,20-,21-,22-/m1/s1
InChI key： HNOZXQFKIYWTHH-MSEOUXRUSA-N
SMILES： OCc1ccc(O[C@@H]2O[C@H](COC(=O)C=Cc3ccccc3)[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-(3-フェニル-1-オキソ-2-プロペニル)-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 3-フェニルプロパ-2-エノアート
  • [(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-4-(hydroxymethyl)phenoxy]oxan-2-yl]methyl 3-phenylprop-2-enoate
Other name (3)：
  • ルブロピロシン
  • Rubropilosin
  • [2-Hydroxy-4-(hydroxymethyl)phenyl]6-O-(3-phenyl-1-oxo-2-propenyl)-β-D-allopyranoside
CAS registry number： 33993-67-8
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