Chem
J-GLOBAL ID:200907089633940810   Nikkaji number:J845.735B

Deacetylisoipecoside

デアセチルイソイペコシド
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: C25H33NO11
Molecular formula furigana: C25-H33-N-O11
Molecular weight: 523.534
InChI: InChI=1S/C25H33NO11/c1-3-12-14(7-16-13-8-18(29)17(28)6-11(13)4-5-26-16)15(23(33)34-2)10-35-24(12)37-25-22(32)21(31)20(30)19(9-27)36-25/h3,6,8,10,12,14,16,19-22,24-32H,1,4-5,7,9H2,2H3/t12-,14+,16+,19-,20-,21+,22-,24+,25+/m1/s1
InChI key: MTAVTRZTGFLKSC-ONGZBVEHSA-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](C=C)[C@@H]1C[C@@H]1NCCc2cc(O)c(O)cc12
Systematic name  (3):
  • (4S)-4β-[[(1S)-6,7-ジヒドロキシ-1,2,3,4-テトラヒドロイソキノリン]-1-イルメチル]-5β-ビニル-6α-(β-D-グルコピラノシルオキシ)-5,6-ジヒドロ-4H-ピラン-3-カルボン酸メチル
  • メチル (2S,3R,4S)-4-{[(1S)-6,7-ジヒドロキシ-1,2,3,4-テトラヒドロイソキノリン-1-イル]メチル}-3-エテニル-2-{[(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}-3,4-ジヒドロ-2H-ピラン-5-カルボキシラート
  • methyl (2S,3R,4S)-4-{[(1S)-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-3-ethenyl-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylate
Other name (3):
  • デアセチルイソイペコシド
  • Deacetylisoipecoside
  • (4S)-4β-[[(1S)-6,7-Dihydroxy-1,2,3,4-tetrahydroisoquinolin]-1-ylmethyl]-5β-vinyl-6α-(β-D-glucopyranosyloxy)-5,6-dihydro-4H-pyran-3-carboxylic acid methyl ester
KEGG COMPOUND: C07304
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