Chem
J-GLOBAL ID：200907036681399547   Nikkaji number：J2.184.184F

1-O-(3-Methylpentyl)-2-(1,3-dioxo-2,3-dihydro-1H-naphtho[2,3-f]isoindole-2-yl)-2-deoxy-β-D-glucopyranose 3,4,6-tribenzoate

1-O-(3-メチルペンチル)-2-(1,3-ジオキソ-2,3-ジヒドロ-1H-ナフト[2,3-f]イソインドール-2-イル)-2-デオキシ-β-D-グルコピラノース3,4,6-トリベンゾアート
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： C49H43NO10
Molecular formula furigana： C49-H43-N-O10
Molecular weight： 805.880
InChI： InChI=1S/C49H43NO10/c1-3-30(2)23-24-56-49-41(50-44(51)38-27-36-25-34-21-13-14-22-35(34)26-37(36)28-39(38)45(50)52)43(60-48(55)33-19-11-6-12-20-33)42(59-47(54)32-17-9-5-10-18-32)40(58-49)29-57-46(53)31-15-7-4-8-16-31/h4-22,25-28,30,40-43,49H,3,23-24,29H2,1-2H3/t30?,40-,41-,42-,43-,49-/m1/s1
InChI key： XSOTXOYBFFKMSJ-ZZHZXAFMSA-N
SMILES： CCC(C)CCO[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1N1C(=O)c2cc3cc4ccccc4cc3cc2C1=O
Systematic name  (3)：
  • 1-O-(3-メチルペンチル)-2-(1,3-ジオキソ-2,3-ジヒドロ-1H-ナフト[2,3-f]イソインドール-2-イル)-2-デオキシ-β-D-グルコピラノース3,4,6-トリベンゾアート
  • [(2R,3S,4R,5R,6R)-3,4-ビス(ベンゾイルオキシ)-5-{1,3-ジオキソ-1H,2H,3H-ナフト[2,3-f]イソインドール-2-イル}-6-[(3-メチルペンチル)オキシ]オキサン-2-イル]メチル ベンゾアート
  • [(2R,3S,4R,5R,6R)-3,4-bis(benzoyloxy)-5-{1,3-dioxo-1H,2H,3H-naphtho[2,3-f]isoindol-2-yl}-6-[(3-methylpentyl)oxy]oxan-2-yl]methyl benzoate
Other name (1)：
  • 1-O-(3-Methylpentyl)-2-(1,3-dioxo-2,3-dihydro-1H-naphtho[2,3-f]isoindole-2-yl)-2-deoxy-β-D-glucopyranose 3,4,6-tribenzoate
Thsaurus map：
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