Chem
J-GLOBAL ID:200907097137371735   Nikkaji number:J937.207E

6-O-p-Hydroxybenzoylajugol

6-O-p-ヒドロキシベンゾイルアジュゴール
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: C22H28O11
Molecular formula furigana: C22-H28-O11
Molecular weight: 468.455
InChI: InChI=1S/C22H28O11/c1-22(29)8-13(31-19(28)10-2-4-11(24)5-3-10)12-6-7-30-20(15(12)22)33-21-18(27)17(26)16(25)14(9-23)32-21/h2-7,12-18,20-21,23-27,29H,8-9H2,1H3/t12-,13+,14+,15+,16+,17-,18+,20-,21-,22-/m0/s1
InChI key: MYLAQALEHHPXFU-VJLNBIBBSA-N
SMILES: C[C@]1(O)C[C@@H](OC(=O)c2ccc(O)cc2)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12
Systematic name  (4):
  • [(1S)-1,4aα,5,6,7,7aα-ヘキサヒドロ-5α-(4-ヒドロキシベンゾイルオキシ)-7α-ヒドロキシ-7-メチルシクロペンタ[c]ピラン]-1-イルβ-D-グルコピラノシド
  • 4-ヒドロキシ安息香酸(1S)-1α-(β-D-グルコピラノシルオキシ)-7α-ヒドロキシ-7-メチル-1,4aα,5,6,7,7aα-ヘキサヒドロシクロペンタ[c]ピラン-5α-イル
  • (1S,4aR,5R,7S,7aS)-7-ヒドロキシ-7-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,6H,7H,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,7S,7aS)-7-hydroxy-7-methyl-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-5-yl 4-hydroxybenzoate
Other name (4):
  • 6-O-p-ヒドロキシベンゾイルアジュゴール
  • 6-O-p-Hydroxybenzoylajugol
  • [(1S)-1,4aα,5,6,7,7aα-Hexahydro-5α-(4-hydroxybenzoyloxy)-7α-hydroxy-7-methylcyclopenta[c]pyran]-1-yl β-D-glucopyranoside
  • 4-Hydroxybenzoic acid (1S)-1α-(β-D-glucopyranosyloxy)-7α-hydroxy-7-methyl-1,4aα,5,6,7,7aα-hexahydrocyclopenta[c]pyran-5α-yl ester
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