Chem
J-GLOBAL ID：200907014633208469   Nikkaji number：J888.362I

5,11,17,23,29,35,41,47-Octa(trimethylaminiomethyl)-49,50,51,52,53,54,55,56-octamethoxynonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosaene

5,11,17,23,29,35,41,47-オクタ(トリメチルアミニオメチル)-49,50,51,52,53,54,55,56-オクタメトキシノナシクロ[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]ヘキサペンタコンタ-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-テトラコサエン
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： C96H144[N+]8O8
Molecular formula furigana： C96-H144-N8-O8
Molecular weight： 1538.252
InChI： InChI=1S/C96H144N8O8/c1-97(2,3)57-65-33-73-49-75-35-66(58-98(4,5)6)37-77(90(75)106-26)51-79-39-68(60-100(10,11)12)41-81(92(79)108-28)53-83-43-70(62-102(16,17)18)45-85(94(83)110-30)55-87-47-72(64-104(22,23)24)48-88(96(87)112-32)56-86-46-71(63-103(19,20)21)44-84(95(86)111-31)54-82-42-69(61-101(13,14)15)40-80(93(82)109-29)52-78-38-67(59-99(7,8)9)36-76(91(78)107-27)50-74(34-65)89(73)105-25/h33-48H,49-64H2,1-32H3/q+8
InChI key： FROJIQOTUGKGGY-UHFFFAOYSA-N
SMILES： COc1c2Cc3cc(C[N+](C)(C)C)cc(Cc4cc(C[N+](C)(C)C)cc(Cc5cc(C[N+](C)(C)C)cc(Cc6cc(C[N+](C)(C)C)cc(Cc7cc(C[N+](C)(C)C)cc(Cc8cc(C[N+](C)(C)C)cc(Cc9cc(C[N+](C)(C)C)cc(Cc1cc(C[N+](C)(C)C)c2)c9OC)c8OC)c7OC)c6OC)c5OC)c4OC)c3OC
Systematic name  (8)：
  • 5,11,17,23,29,35,41,47-オクタキス(トリメチルアミニオメチル)-49,50,51,52,53,54,55,56-オクタメトキシノナシクロ[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]ヘキサペンタコンタ-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-テトラコサエン
  • α,α′,α′′,α′′′,α′′′′,α′′′′′,α′′′′′′,α′′′′′′′-[49,50,51,52,53,54,55,56-オクタメトキシノナシクロ[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]ヘキサペンタコンタン-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-テトラコサエン-5,11,17,23,29,35,41,47-オクタイル]オクタキス(N,N,N-トリメチルメタンアミニウム)
  • [49,50,51,52,53,54,55,56-オクタメトキシノナシクロ[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]ヘキサペンタコンタン-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-テトラコサエン-5,11,17,23,29,35,41,47-オクタイルオクタキスメチレン]オクタキス(トリメチルアミニウム)
  • [[49,50,51,52,53,54,55,56-オクタメトキシノナシクロ[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]ヘキサペンタコンタ-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-テトラコサエン-5,11,17,23,29,35,41,47-オクタイル]オクタ(メチレン)]オクタキス(トリメチルアミニウム)
  • 49,50,51,52,53,54,55,56-オクタメトキシ-5,11,17,23,29,35,41,47-オクタキス[(トリメチルアミニオ)メチル]ノナシクロ[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]ヘキサペンタコンタン-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-テトラコサエン
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Other name (6)：
  • [[49,50,51,52,53,54,55,56-Octamethoxynonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosaene-5,11,17,23,29,35,41,47-octayl]octa(methylene)]octakis(trimethylaminium)
  • 49,50,51,52,53,54,55,56-Octamethoxy-5,11,17,23,29,35,41,47-octakis[(trimethylaminio)methyl]nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentacontane-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosaene
  • 5,11,17,23,29,35,41,47-Octa(trimethylaminiomethyl)-49,50,51,52,53,54,55,56-octamethoxynonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosaene
  • 5,11,17,23,29,35,41,47-Octakis(trimethylaminiomethyl)-49,50,51,52,53,54,55,56-octamethoxynonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosaene
  • α,α′,α′′,α′′′,α′′′′,α′′′′′,α′′′′′′,α′′′′′′′-[49,50,51,52,53,54,55,56-Octamethoxynonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentacontane-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosaene-5,11,17,23,29,35,41,47-octayl]octakis(N,N,N-trimethylmethaneaminium)
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