Chem
J-GLOBAL ID：201207041876759849   Nikkaji number：J3.009.449B

4-[2-(Benzyloxy)ethyl]phenyl 3-O-[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)benzyl]-4-O,6-O-[(R)-benzylidene]-β-D-glucopyranoside

4-[2-(ベンジルオキシ)エチル]フェニル3-O-[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-ヘプタデカフルオロウンデシル)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： C46H41F17O7
Molecular formula furigana： C46-H41-F17-O7
Molecular weight： 1028.800
InChI： InChI=1S/C46H41F17O7/c47-39(48,40(49,50)41(51,52)42(53,54)43(55,56)44(57,58)45(59,60)46(61,62)63)22-7-10-27-13-15-30(16-14-27)25-66-36-34(64)38(69-33-26-67-37(70-35(33)36)31-11-5-2-6-12-31)68-32-19-17-28(18-20-32)21-23-65-24-29-8-3-1-4-9-29/h1-6,8-9,11-20,33-38,64H,7,10,21-26H2/t33-,34-,35-,36-,37-,38-/m1/s1
InChI key： GCQBOPUAENCARQ-RZTJPVRCSA-N
SMILES： O[C@H]1[C@H](Oc2ccc(CCOCc3ccccc3)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)C(F)(F)C(F)(F)F)cc1)c1ccccc1
Systematic name  (3)：
  • 4-[2-(ベンジルオキシ)エチル]フェニル3-O-[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-ヘプタデカフルオロウンデシル)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-[2-(ベンジルオキシ)エチル]フェノキシ}-8-{[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-ヘプタデカフルオロウンデシル)フェニル]メトキシ}-2-フェニル-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-[2-(benzyloxy)ethyl]phenoxy}-8-{[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)phenyl]methoxy}-2-phenyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-7-ol
Other name (1)：
  • 4-[2-(Benzyloxy)ethyl]phenyl 3-O-[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)benzyl]-4-O,6-O-[(R)-benzylidene]-β-D-glucopyranoside
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