Chem
J-GLOBAL ID：200907004356826057
Nikkaji number：J888.361K
37,38,39,40,41,42-Hexamethoxy-5,11,17,23,29,35-hexakis(trimethylaminiomethyl)heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-octadecaene
37,38,39,40,41,42-ヘキサメトキシ-5,11,17,23,29,35-ヘキサキス(トリメチルアミニオメチル)ヘプタシクロ[31.3.1.13,7.19,13.115,19.121,25.127,31]ドテトラコンタ-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-オクタデカエン
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
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
Molecular formula： C72H108[N+]6O6
Molecular formula furigana： C72-H108-N6-O6
Molecular weight： 1153.689
InChI：
InChI=1S/C72H108N6O6/c1-73(2,3)43-49-25-55-37-57-27-50(44-74(4,5)6)29-59(68(57)80-20)39-61-31-52(46-76(10,11)12)33-63(70(61)82-22)41-65-35-54(48-78(16,17)18)36-66(72(65)84-24)42-64-34-53(47-77(13,14)15)32-62(71(64)83-23)40-60-30-51(45-75(7,8)9)28-58(69(60)81-21)38-56(26-49)67(55)79-19/h25-36H,37-48H2,1-24H3/q+6
InChI key：
SCMQPBIFJFKBAP-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(Cc1cc(C[N+](C)(C)C)c2)c7OC)c6OC)c5OC)c4OC)c3OC
Systematic name (9)：
- 5,11,17,23,29,35-ヘキサキス(トリメチルアミニオメチル)-37,38,39,40,41,42-ヘキサメトキシヘプタシクロ[31.3.1.13,7.19,13.115,19.121,25.127,31]ドテトラコンタ-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-オクタデカエン
- 37,38,39,40,41,42-ヘキサメトキシヘプタシクロ[31.3.1.13,7.19,13.115,19.121,25.127,31]ドテトラコンタ-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-オクタデカエン-5,11,17,23,29,35-ヘキサイルヘキサキスメチレンヘキサ(トリメチルアミニウム)
- α,α′,α′′,α′′′,α′′′′,α′′′′′-[37,38,39,40,41,42-ヘキサメトキシヘプタシクロ[31.3.1.13,7.19,13.115,19.121,25.127,31]ドテトラコンタン-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-オクタデカエン-5,11,17,23,29,35-ヘキサイル]ヘキサキス(N,N,N-トリメチルメタンアミニウム)
- [37,38,39,40,41,42-ヘキサメトキシヘプタシクロ[31.3.1.13,7.19,13.115,19.121,25.127,31]ドテトラコンタ-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-オクタデカエン-5,11,17,23,29,35-ヘキサイルヘキサキスメチレン]ヘキサキス(トリメチルアミニウム)
- [[37,38,39,40,41,42-ヘキサメトキシヘプタシクロ[31.3.1.13,7.19,13.115,19.121,25.127,31]ドテトラコンタ-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-オクタデカエン-5,11,17,23,29,35-ヘキサイル]ヘキサ(メチレン)]ヘキサキス(トリメチルアミニウム)
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- 5,11,17,23,29,35-Hexakis(trimethylaminiomethyl)-37,38,39,40,41,42-hexamethoxyheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-octadecaene
- 37,38,39,40,41,42-Hexamethoxyheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-octadecaene-5,11,17,23,29,35-hexaylhexakismethylenehexa(trimethylaminium)
- α,α′,α′′,α′′′,α′′′′,α′′′′′-[37,38,39,40,41,42-Hexamethoxyheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetracontane-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-octadecaene-5,11,17,23,29,35-hexayl]hexakis(N,N,N-trimethylmethaneaminium)
- [37,38,39,40,41,42-Hexamethoxyheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-octadecaene-5,11,17,23,29,35-hexaylhexakismethylene]hexakis(trimethylaminium)
- [[37,38,39,40,41,42-Hexamethoxyheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-octadecaene-5,11,17,23,29,35-hexayl]hexa(methylene)]hexakis(trimethylaminium)
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