Chem
J-GLOBAL ID：201807018401293864   Nikkaji number：J3.704.599C

2-O,3-O-Dibenzyl-4-O,6-O-[[4,4′,5,5′,6,6′-hexakis(benzyloxy)-1,1′-biphenyl-2,2′-diyl]dicarbonyl]-D-gluconic acid benzyl ester

2-O,3-O-ジベンジル-4-O,6-O-[[4,4′,5,5′,6,6′-ヘキサキス(ベンジルオキシ)-1,1′-ビフェニル-2,2′-ジイル]ジカルボニル]-D-グルコン酸ベンジル
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： C83H72O15
Molecular formula furigana： C83-H72-O15
Molecular weight： 1309.474
InChI： InChI=1S/C83H72O15/c84-69-57-97-81(85)67-46-70(88-48-58-28-10-1-11-29-58)75(90-50-60-32-14-3-15-33-60)77(92-52-62-36-18-5-19-37-62)72(67)73-68(47-71(89-49-59-30-12-2-13-31-59)76(91-51-61-34-16-4-17-35-61)78(73)93-53-63-38-20-6-21-39-63)82(86)98-74(69)79(94-54-64-40-22-7-23-41-64)80(95-55-65-42-24-8-25-43-65)83(87)96-56-66-44-26-9-27-45-66/h1-47,69,74,79-80,84H,48-57H2/t69-,74-,79+,80-/m1/s1
InChI key： KCPGJNKLRMLQTA-NGDREMGKSA-N
SMILES： O[C@@H]1COC(=O)c2cc(OCc3ccccc3)c(OCc3ccccc3)c(OCc3ccccc3)c2c2c(OCc3ccccc3)c(OCc3ccccc3)c(OCc3ccccc3)cc2C(=O)O[C@H]1[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)C(=O)OCc1ccccc1
Systematic name  (3)：
  • 2-O,3-O-ジベンジル-4-O,6-O-[[4,4′,5,5′,6,6′-ヘキサキス(ベンジルオキシ)-1,1′-ビフェニル-2,2′-ジイル]ジカルボニル]-D-グルコン酸ベンジル
  • ベンジル (2R,3S)-2,3-ビス(ベンジルオキシ)-3-[(10R,11R)-3,4,5,17,18,19-ヘキサキス(ベンジルオキシ)-11-ヒドロキシ-8,14-ジオキソ-9,13-ジオキサトリシクロ[13.4.0.02,7]ノナデカ-1(19),2,4,6,15,17-ヘキサエン-10-イル]プロパノアート
  • benzyl (2R,3S)-2,3-bis(benzyloxy)-3-[(10R,11R)-3,4,5,17,18,19-hexakis(benzyloxy)-11-hydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]propanoate
Other name (1)：
  • 2-O,3-O-Dibenzyl-4-O,6-O-[[4,4′,5,5′,6,6′-hexakis(benzyloxy)-1,1′-biphenyl-2,2′-diyl]dicarbonyl]-D-gluconic acid benzyl ester
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