Chem
J-GLOBAL ID：200907092152300290   Nikkaji number：J870.465A

Kingiside

キンギシド
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： C17H24O11
Molecular formula furigana： C17-H24-O11
Molecular weight： 404.368
InChI： InChI=1S/C17H24O11/c1-6-11-7(3-10(19)26-6)8(15(23)24-2)5-25-16(11)28-17-14(22)13(21)12(20)9(4-18)27-17/h5-7,9,11-14,16-18,20-22H,3-4H2,1-2H3/t6-,7+,9+,11+,12+,13-,14+,16-,17-/m0/s1
InChI key： QZCJFXSHMSZCLH-QAPDQXECSA-N
SMILES： COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)OC(=O)C[C@H]12
Systematic name  (4)：
  • (1S)-1α-(β-D-グルコピラノシルオキシ)-8β-メチル-6-オキソ-4aα,5,6,8aα-テトラヒドロ-1H,8H-ピラノ[3,4-c]ピラン-4-カルボン酸メチル
  • (1S)-1α-(β-D-グルコピラノシルオキシ)-6-オキソ-8β-メチル-4aα,5,8,8aα-テトラヒドロ-1H,6H-ピラノ[3,4-c]ピラン-4-カルボン酸メチル
  • メチル (1S,4aS,8S,8aS)-8-メチル-6-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}-1H,4aH,5H,6H,8H,8aH-ピラノ[3,4-c]ピラン-4-カルボキシラート
  • methyl (1S,4aS,8S,8aS)-8-methyl-6-oxo-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,8H,8aH-pyrano[3,4-c]pyran-4-carboxylate
Other name (4)：
  • キンギシド
  • Kingiside
  • (1S)-1α-(β-D-Glucopyranosyloxy)-8β-methyl-6-oxo-4aα,5,6,8aα-tetrahydro-1H,8H-pyrano[3,4-c]pyran-4-carboxylic acid methyl ester
  • (1S)-1α-(β-D-Glucopyranosyloxy)-6-oxo-8β-methyl-4aα,5,8,8aα-tetrahydro-1H,6H-pyrano[3,4-c]pyran-4-carboxylic acid methyl ester
CAS registry number： 25406-67-1
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