Chem
J-GLOBAL ID：200907032057992742   Nikkaji number：J38.516F

Ajugoside

アジュゴシド
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： C17H26O10
Molecular formula furigana： C17-H26-O10
Molecular weight： 390.385
InChI： InChI=1S/C17H26O10/c1-7(19)27-17(2)5-9(20)8-3-4-24-15(11(8)17)26-16-14(23)13(22)12(21)10(6-18)25-16/h3-4,8-16,18,20-23H,5-6H2,1-2H3/t8-,9+,10+,11+,12+,13-,14+,15-,16-,17-/m0/s1
InChI key： FLOXQRMTDDOZKF-MUIWGTDSSA-N
SMILES： CC(=O)O[C@@]1(C)C[C@@H](O)[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)-7α-アセトキシ-1,4aα,5,6,7,7aα-ヘキサヒドロ-5α-ヒドロキシ-7-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)-7α-アセトキシ-1α-(β-D-グルコピラノシルオキシ)-1,4aα,5,6,7,7aα-ヘキサヒドロ-7-メチルシクロペンタ[c]ピラン-5α-オール
  • (1S,4aR,5R,7S,7aS)-5-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-7-イル アセタート
  • (1S,4aR,5R,7S,7aS)-5-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-7-yl acetate
Other name (4)：
  • アジュゴシド
  • Ajugoside
  • [(1S)-7α-Acetoxy-1,4aα,5,6,7,7aα-hexahydro-5α-hydroxy-7-methylcyclopenta[c]pyran-1α-yl]β-D-glucopyranoside
  • (1S)-7α-Acetoxy-1α-(β-D-glucopyranosyloxy)-1,4aα,5,6,7,7aα-hexahydro-7-methylcyclopenta[c]pyran-5α-ol
CAS registry number： 52916-96-8
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