Chem
J-GLOBAL ID：200907063505740230   Nikkaji number：J254.149A

Asystasioside E

アシスタシオシドE
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： C15H23ClO10
Molecular formula furigana： C15-H23-CL-O10
Molecular weight： 398.790
InChI： InChI=1S/C15H23ClO10/c16-12-8(19)5-1-2-24-13(7(5)15(12,23)4-18)26-14-11(22)10(21)9(20)6(3-17)25-14/h1-2,5-14,17-23H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12-,13+,14+,15-/m1/s1
InChI key： MQVBIZWHELLSAW-GJVZBIOKSA-N
SMILES： OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H](Cl)[C@@](O)(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • [(1S)-6β-クロロ-1,4aα,5,6,7,7aα-ヘキサヒドロ-5α,7α-ジヒドロキシ-7β-(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
  • (2S,3R,4S,5S,6R)-2-{[(1S,4aR,5S,6R,7S,7aS)-6-クロロ-5,7-ジヒドロキシ-7-(ヒドロキシメチル)-1H,4aH,5H,6H,7H,7aH-シクロペンタ[c]ピラン-1-イル]オキシ}-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
  • (2S,3R,4S,5S,6R)-2-{[(1S,4aR,5S,6R,7S,7aS)-6-chloro-5,7-dihydroxy-7-(hydroxymethyl)-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (3)：
  • アシスタシオシドE
  • Asystasioside E
  • [(1S)-6β-Chloro-1,4aα,5,6,7,7aα-hexahydro-5α,7α-dihydroxy-7β-(hydroxymethyl)cyclopenta[c]pyran]-1α-yl β-D-glucopyranoside
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