Chem
J-GLOBAL ID：201007016049568074   Nikkaji number：J2.799.498I

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

[[(2S)-2,5-ジメチル-2α-[4-[4-(ペンタデシルオキシ)ベンゾイルオキシ]フェニル]-5β-[4′-(ペンタデシルオキシ)-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： C61H88NO5
Molecular formula furigana： C61-H88-N-O5
Molecular weight： 915.377
InChI： InChI=1S/C61H88NO5/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-49-65-56-41-33-52(34-42-56)51-31-37-54(38-32-51)60(3)47-48-61(4,62(60)64)55-39-45-58(46-40-55)67-59(63)53-35-43-57(44-36-53)66-50-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h31-46H,5-30,47-50H2,1-4H3/t60-,61-/m0/s1
InChI key： QMGOHCQAWPGGIA-OBXNHJGZSA-N
SMILES： CCCCCCCCCCCCCCCOc1ccc(cc1)C(=O)Oc1ccc(cc1)[C@]1(C)CC[C@](C)(N1[O])c1ccc(cc1)c1ccc(OCCCCCCCCCCCCCCC)cc1
Systematic name  (3)：
  • [[(2S)-2,5-ジメチル-2α-[4-[4-(ペンタデシルオキシ)ベンゾイルオキシ]フェニル]-5β-[4′-(ペンタデシルオキシ)-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'-(ペンタデシルオキシ)-[1,1'-ビフェニル]-4-イル]-5-{4-[4-(ペンタデシルオキシ)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'-(pentadecyloxy)-[1,1'-biphenyl]-4-yl]-5-{4-[4-(pentadecyloxy)benzoyloxy]phenyl}pyrrolidin-1-yl]oxidanyl
Other name (1)：
  • [[(2S)-2,5-Dimethyl-2α-[4-[4-(pentadecyloxy)benzoyloxy]phenyl]-5β-[4′-(pentadecyloxy)-4-biphenylyl]pyrrolizino]oxy]radical
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