Chem
J-GLOBAL ID：200907013697232219   Nikkaji number：J1.727.200D

(4R)-Hydroxyipecosid

(4R)-ヒドロキシイペコシド
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： C27H35NO13
Molecular formula furigana： C27-H35-N-O13
Molecular weight： 581.571
InChI： InChI=1S/C27H35NO13/c1-4-12-13(5-17-14-6-18(31)19(32)7-15(14)20(33)8-28(17)11(2)30)16(25(37)38-3)10-39-26(12)41-27-24(36)23(35)22(34)21(9-29)40-27/h4,6-7,10,12-13,17,20-24,26-27,29,31-36H,1,5,8-9H2,2-3H3/t12-,13+,17-,20+,21-,22-,23+,24-,26+,27+/m1/s1
InChI key： IZNGUQUMRJUVTA-UOZAMYLJSA-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]1N(C[C@H](O)c2cc(O)c(O)cc12)C(=O)C
Systematic name  (3)：
  • (2S)-4α-[[(1R)-2-アセチル-1,2,3,4-テトラヒドロ-4α,6,7-トリヒドロキシイソキノリン-1-イル]メチル]-3α-ビニル-2β-(β-D-グルコピラノシルオキシ)-3,4-ジヒドロ-2H-ピラン-5-カルボン酸メチル
  • メチル (2S,3R,4S)-4-{[(1R,4R)-2-アセチル-4,6,7-トリヒドロキシ-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-{[(1R,4R)-2-acetyl-4,6,7-trihydroxy-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)：
  • (2S)-4α-[[(1R)-2-Acetyl-1,2,3,4-tetrahydro-4α,6,7-trihydroxyisoquinoline-1-yl]methyl]-3α-vinyl-2β-(β-D-glucopyranosyloxy)-3,4-dihydro-2H-pyran-5-carboxylic acid methyl ester
  • (4R)-ヒドロキシイペコシド
  • (4R)-Hydroxyipecosid
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