Chem
J-GLOBAL ID:200907001167903840   Nikkaji number:J734.740E

3-[2-(Benzyloxy)-5-[[(1S)-2β-(α-L-fucopyranosyloxy)cyclohexan-1α-yl]oxy]phenyl]propionic acid

3-[2-(ベンジルオキシ)-5-[[(1S)-2β-(α-L-フコピラノシルオキシ)シクロヘキサン-1α-イル]オキシ]フェニル]プロピオン酸
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: C28H36O9
Molecular formula furigana: C28-H36-O9
Molecular weight: 516.587
InChI: InChI=1S/C28H36O9/c1-17-25(31)26(32)27(33)28(35-17)37-23-10-6-5-9-22(23)36-20-12-13-21(19(15-20)11-14-24(29)30)34-16-18-7-3-2-4-8-18/h2-4,7-8,12-13,15,17,22-23,25-28,31-33H,5-6,9-11,14,16H2,1H3,(H,29,30)/t17-,22-,23-,25+,26+,27-,28-/m0/s1
InChI key: VKSLIOHDWRSYHI-CEBRVYECSA-N
SMILES: C[C@@H]1O[C@@H](O[C@H]2CCCC[C@@H]2Oc2ccc(OCc3ccccc3)c(CCC(=O)O)c2)[C@@H](O)[C@H](O)[C@@H]1O
Systematic name  (3):
  • 3-[2-(ベンジルオキシ)-5-[[(1S)-2β-(α-L-フコピラノシルオキシ)シクロヘキサン-1α-イル]オキシ]フェニル]プロピオン酸
  • 3-[2-(ベンジルオキシ)-5-{[(1S,2S)-2-{[(2S,3S,4R,5S,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}シクロヘキシル]オキシ}フェニル]プロパン酸
  • 3-[2-(benzyloxy)-5-{[(1S,2S)-2-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}cyclohexyl]oxy}phenyl]propanoic acid
Other name (1):
  • 3-[2-(Benzyloxy)-5-[[(1S)-2β-(α-L-fucopyranosyloxy)cyclohexan-1α-yl]oxy]phenyl]propionic acid
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