Chem
J-GLOBAL ID:200907036701774595   Nikkaji number:J1.727.198I

6′′-O-β-D-Glucopyranosyllipecoside

6′′-O-β-D-グルコピラノシルリペコシド
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: C33H45NO17
Molecular formula furigana: C33-H45-N-O17
Molecular weight: 727.713
InChI: InChI=1S/C33H45NO17/c1-4-15-17(8-19-16-9-21(38)20(37)7-14(16)5-6-34(19)13(2)36)18(30(45)46-3)11-47-31(15)51-33-29(44)27(42)25(40)23(50-33)12-48-32-28(43)26(41)24(39)22(10-35)49-32/h4,7,9,11,15,17,19,22-29,31-33,35,37-44H,1,5-6,8,10,12H2,2-3H3/t15-,17+,19-,22-,23-,24-,25-,26+,27+,28-,29-,31+,32-,33+/m1/s1
InChI key: NZRIAMCQBSTDCE-QAGNIBPXSA-N
SMILES: COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](C=C)[C@@H]1C[C@H]1N(CCc2cc(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-6,7-ジヒドロキシイソキノリン]-1β-イルメチル]-3α-エテニル-2β-(6-O-β-D-グルコピラノシル-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)-2-アセチル-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-({[(2R,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}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-acetyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-3-ethenyl-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylate
Other name (3):
  • (2S)-4α-[[(1R)-2-Acetyl-1,2,3,4-tetrahydro-6,7-dihydroxyisoquinoline]-1β-ylmethyl]-3α-ethenyl-2β-(6-O-β-D-glucopyranosyl-β-D-glucopyranosyloxy)-3,4-dihydro-2H-pyran-5-carboxylic acid methyl ester
  • 6′′-O-β-D-グルコピラノシルリペコシド
  • 6′′-O-β-D-Glucopyranosyllipecoside
Thsaurus map:

Return to Previous Page