Chem
J-GLOBAL ID：201207030053196758   Nikkaji number：J3.009.455G

4-(Benzyloxy)phenyl 3-O-[4-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)benzyl]-4-O,6-O-[(R)-benzylidene]-β-D-glucopyranoside

4-(ベンジルオキシ)フェニル3-O-[4-(4,4,5,5,6,6,7,7,8,8,9,9,9-トリデカフルオロノニル)ベンジル]-4-O,6-O-[(R)-ベンジリデン]-β-D-グルコピラノシド
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： C42H37F13O7
Molecular formula furigana： C42-H37-F13-O7
Molecular weight： 900.730
InChI： InChI=1S/C42H37F13O7/c43-37(44,38(45,46)39(47,48)40(49,50)41(51,52)42(53,54)55)21-7-10-25-13-15-27(16-14-25)23-58-34-32(56)36(61-31-24-59-35(62-33(31)34)28-11-5-2-6-12-28)60-30-19-17-29(18-20-30)57-22-26-8-3-1-4-9-26/h1-6,8-9,11-20,31-36,56H,7,10,21-24H2/t31-,32-,33-,34-,35-,36-/m1/s1
InChI key： NRZPICHXEJUXBY-HLPCWDLKSA-N
SMILES： O[C@H]1[C@H](Oc2ccc(OCc3ccccc3)cc2)O[C@@H]2CO[C@H](O[C@H]2[C@@H]1OCc1ccc(CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1)c1ccccc1
Systematic name  (3)：
  • 4-(ベンジルオキシ)フェニル3-O-[4-(4,4,5,5,6,6,7,7,8,8,9,9,9-トリデカフルオロノニル)ベンジル]-4-O,6-O-[(R)-ベンジリデン]-β-D-グルコピラノシド
  • (2R,4aR,6S,7R,8R,8aR)-6-[4-(ベンジルオキシ)フェノキシ]-2-フェニル-8-{[4-(4,4,5,5,6,6,7,7,8,8,9,9,9-トリデカフルオロノニル)フェニル]メトキシ}-ヘキサヒドロ-2H-ピラノ[3,2-d][1,3]ジオキシン-7-オール
  • (2R,4aR,6S,7R,8R,8aR)-6-[4-(benzyloxy)phenoxy]-2-phenyl-8-{[4-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)phenyl]methoxy}-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-7-ol
Other name (1)：
  • 4-(Benzyloxy)phenyl 3-O-[4-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)benzyl]-4-O,6-O-[(R)-benzylidene]-β-D-glucopyranoside
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