Chem
J-GLOBAL ID:200907025663508426   Nikkaji number:J1.523.209I

(4S)-4β-[[(1R)-2-Benzyl-7,8-dihydroxy-1,2,3,4-tetrahydroisoquinoline-1-yl]methyl]-5β-vinyl-6α-(2-O,3-O,4-O,6-O-tetraacetyl-β-D-glucopyranosyloxy)-5,6-dihydro-4H-pyran-3-carboxylic acid methyl ester

(4S)-4β-[[(1R)-2-ベンジル-7,8-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-(2-O,3-O,4-O,6-O-テトラアセチル-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
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: C40H47NO15
Molecular formula furigana: C40-H47-N-O15
Molecular weight: 781.808
InChI: InChI=1S/C40H47NO15/c1-7-27-28(17-30-33-26(13-14-31(46)34(33)47)15-16-41(30)18-25-11-9-8-10-12-25)29(38(48)49-6)19-51-39(27)56-40-37(54-24(5)45)36(53-23(4)44)35(52-22(3)43)32(55-40)20-50-21(2)42/h7-14,19,27-28,30,32,35-37,39-40,46-47H,1,15-18,20H2,2-6H3/t27-,28+,30-,32-,35-,36+,37-,39+,40+/m1/s1
InChI key: KXIUESGUUIAJNA-XPTXYIECSA-N
SMILES: COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]2OC(=O)C)[C@H](C=C)[C@@H]1C[C@H]1N(Cc2ccccc2)CCc2ccc(O)c(O)c12
Systematic name  (3):
  • (4S)-4β-[[(1R)-2-ベンジル-7,8-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-(2-O,3-O,4-O,6-O-テトラアセチル-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-{[(1R)-2-ベンジル-7,8-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,5R,6R)-3,4,5-トリス(アセチルオキシ)-6-[(アセチルオキシ)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-{[(1R)-2-benzyl-7,8-dihydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-3-ethenyl-2-{[(2S,3R,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylate
Other name (1):
  • (4S)-4β-[[(1R)-2-Benzyl-7,8-dihydroxy-1,2,3,4-tetrahydroisoquinoline-1-yl]methyl]-5β-vinyl-6α-(2-O,3-O,4-O,6-O-tetraacetyl-β-D-glucopyranosyloxy)-5,6-dihydro-4H-pyran-3-carboxylic acid methyl ester
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