Chem
J-GLOBAL ID：200907063063198848   Nikkaji number：J939.474E

6-epi-6-O-p-Hydroxybenzoylaucubin

6-epi-6-O-p-ヒドロキシベンゾイルアウクビン
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： C22H26O11
Molecular formula furigana： C22-H26-O11
Molecular weight： 466.439
InChI： InChI=1S/C22H26O11/c23-8-11-7-14(31-20(29)10-1-3-12(25)4-2-10)13-5-6-30-21(16(11)13)33-22-19(28)18(27)17(26)15(9-24)32-22/h1-7,13-19,21-28H,8-9H2/t13-,14-,15+,16+,17+,18-,19+,21-,22-/m0/s1
InChI key： JZWZFNOVWZEQMF-QNEOBFNMSA-N
SMILES： OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@@H](OC(=O)c4ccc(O)cc4)C=C(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • [(1S)-1,4aα,5,7aα-テトラヒドロ-5β-(4-ヒドロキシベンゾイルオキシ)-7-(ヒドロキシメチル)シクロペンタ[c]ピラン]-1α-イルβ-D-グルコピラノシド
  • (1S,4aR,5R,7aS)-7-(ヒドロキシメチル)-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}-1H,4aH,5H,7aH-シクロペンタ[c]ピラン-5-イル 4-ヒドロキシベンゾアート
  • (1S,4aR,5R,7aS)-7-(hydroxymethyl)-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-5-yl 4-hydroxybenzoate
Other name (3)：
  • 6-epi-6-O-p-ヒドロキシベンゾイルアウクビン
  • 6-epi-6-O-p-Hydroxybenzoylaucubin
  • [(1S)-1,4aα,5,7aα-Tetrahydro-5β-(4-hydroxybenzoyloxy)-7-(hydroxymethyl)cyclopenta[c]pyran]-1α-yl β-D-glucopyranoside
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