Chem
J-GLOBAL ID：201007092058000240   Nikkaji number：J2.799.496B

[[(2S)-2,5-Dimethyl-2α-[4-[4-(tridecyloxy)benzoyloxy]phenyl]-5β-[4′-(tridecyloxy)-4-biphenylyl]pyrrolizino]oxy]radical

[[(2S)-2,5-ジメチル-2α-[4-[4-(トリデシルオキシ)ベンゾイルオキシ]フェニル]-5β-[4′-(トリデシルオキシ)-4-ビフェニリル]ピロリジノ]オキシ]ラジカル
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： C57H80NO5
Molecular formula furigana： C57-H80-N-O5
Molecular weight： 859.269
InChI： InChI=1S/C57H80NO5/c1-5-7-9-11-13-15-17-19-21-23-25-45-61-52-37-29-48(30-38-52)47-27-33-50(34-28-47)56(3)43-44-57(4,58(56)60)51-35-41-54(42-36-51)63-55(59)49-31-39-53(40-32-49)62-46-26-24-22-20-18-16-14-12-10-8-6-2/h27-42H,5-26,43-46H2,1-4H3/t56-,57-/m0/s1
InChI key： QELTWGRRKAPDFY-KXLPFTAXSA-N
SMILES： CCCCCCCCCCCCCOc1ccc(cc1)C(=O)Oc1ccc(cc1)[C@]1(C)CC[C@](C)(N1[O])c1ccc(cc1)c1ccc(OCCCCCCCCCCCCC)cc1
Systematic name  (3)：
  • [[(2S)-2,5-ジメチル-2α-[4-[4-(トリデシルオキシ)ベンゾイルオキシ]フェニル]-5β-[4′-(トリデシルオキシ)-4-ビフェニリル]ピロリジノ]オキシ]ラジカル
  • [(2S,5S)-2,5-ジメチル-2-[4'-(トリデシルオキシ)-[1,1'-ビフェニル]-4-イル]-5-{4-[4-(トリデシルオキシ)ベンゾイルオキシ]フェニル}ピロリジン-1-イル]オキシダニル
  • [(2S,5S)-2,5-dimethyl-2-[4'-(tridecyloxy)-[1,1'-biphenyl]-4-yl]-5-{4-[4-(tridecyloxy)benzoyloxy]phenyl}pyrrolidin-1-yl]oxidanyl
Other name (1)：
  • [[(2S)-2,5-Dimethyl-2α-[4-[4-(tridecyloxy)benzoyloxy]phenyl]-5β-[4′-(tridecyloxy)-4-biphenylyl]pyrrolizino]oxy]radical
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