Chem
J-GLOBAL ID：201007071695013944   Nikkaji number：J2.799.499G

[[(2S)-2,5-Dimethyl-2α-[4′-[4-(tridecyloxy)benzoyloxy]-4-biphenylyl]-5β-[4-(tridecyloxy)phenyl]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]-4-ビフェニリル]-5β-[4-(トリデシルオキシ)フェニル]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/c1-5-7-9-11-13-15-17-19-21-23-25-45-61-52-37-31-49(32-38-52)55(59)63-54-39-29-48(30-40-54)47-27-33-50(34-28-47)56(3)43-44-57(4,58(56)60)51-35-41-53(42-36-51)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： NUIQRSROZBWIQW-KXLPFTAXSA-N
SMILES： CCCCCCCCCCCCCOc1ccc(cc1)C(=O)Oc1ccc(cc1)c1ccc(cc1)[C@]1(C)CC[C@](C)(N1[O])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]-4-ビフェニリル]-5β-[4-(トリデシルオキシ)フェニル]ピロリジノ]オキシ]ラジカル
  • [(2S,5S)-2,5-ジメチル-2-{4'-[4-(トリデシルオキシ)ベンゾイルオキシ]-[1,1'-ビフェニル]-4-イル}-5-[4-(トリデシルオキシ)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'-[4-(tridecyloxy)benzoyloxy]-[1,1'-biphenyl]-4-yl}-5-[4-(tridecyloxy)phenyl]pyrrolidin-1-yl]oxidanyl
Other name (1)：
  • [[(2S)-2,5-Dimethyl-2α-[4′-[4-(tridecyloxy)benzoyloxy]-4-biphenylyl]-5β-[4-(tridecyloxy)phenyl]pyrrolizino]oxy]radical
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