Chem
J-GLOBAL ID：200907025329668072   Nikkaji number：J17.010K

Albiflorin

アルビフロリン
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： C23H28O11
Molecular formula furigana： C23-H28-O11
Molecular weight： 480.466
InChI： InChI=1S/C23H28O11/c1-21-8-13(25)12-7-23(21,33-19-17(28)16(27)15(26)14(9-24)32-19)22(12,20(30)34-21)10-31-18(29)11-5-3-2-4-6-11/h2-6,12-17,19,24-28H,7-10H2,1H3/t12?,13-,14-,15-,16+,17-,19+,21?,22?,23+/m1/s1
InChI key： QQUHMASGPODSIW-WRBSMJEFSA-N
SMILES： CC12C[C@@H](O)C3C[C@@]1(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C3(COC(=O)c1ccccc1)C(=O)O2
Systematic name  (3)：
  • (1R,4R)-9-[(ベンゾイルオキシ)メチル]-1-(β-D-グルコピラノシルオキシ)-4-ヒドロキシ-6-メチル-7-オキサトリシクロ[4.3.0.03,9]ノナン-8-オン
  • [(1R,4R)-4-ヒドロキシ-6-メチル-8-オキソ-1-{[(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}-7-オキサトリシクロ[4.3.0.03,9]ノナン-9-イル]メチル ベンゾアート
  • [(1R,4R)-4-hydroxy-6-methyl-8-oxo-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-oxatricyclo[4.3.0.03,9]nonan-9-yl]methyl benzoate
Other name (3)：
  • アルビフロリン
  • Albiflorin
  • (1R,4R)-9-[(Benzoyloxy)methyl]-1-(β-D-glucopyranosyloxy)-4-hydroxy-6-methyl-7-oxatricyclo[4.3.0.03,9]nonan-8-one
CAS registry number： 39011-90-0
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