Chem
J-GLOBAL ID：200907006047177365   Nikkaji number：J2.110.289J

11,23-Di-tert-butyl-25,26,27,28-tetrapropoxy-5,17-bis[(3-methyl-1H-imidazole-3-ium)-1-ylmethyl]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene

11,23-ジ-tert-ブチル-25,26,27,28-テトラプロポキシ-5,17-ビス[(3-メチル-1H-イミダゾール-3-イウム)-1-イルメチル]ペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン
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： C58H78N2[N+]2O4
Molecular formula furigana： C58-H78-N4-O4
Molecular weight： 895.285
InChI： InChI=1S/C58H78N4O4/c1-13-21-63-53-43-25-41(37-61-19-17-59(11)39-61)26-44(53)30-48-34-52(58(8,9)10)36-50(56(48)66-24-16-4)32-46-28-42(38-62-20-18-60(12)40-62)27-45(54(46)64-22-14-2)31-49-35-51(57(5,6)7)33-47(29-43)55(49)65-23-15-3/h17-20,25-28,33-36,39-40H,13-16,21-24,29-32,37-38H2,1-12H3/q+2
InChI key： STDZCXCTKZRXLJ-UHFFFAOYSA-N
SMILES： CCCOc1c2Cc3cc(cc(Cc4cc(Cn5cc[n+](C)c5)cc(Cc5cc(cc(Cc1cc(Cn1cc[n+](C)c1)c2)c5OCCC)C(C)(C)C)c4OCCC)c3OCCC)C(C)(C)C
Systematic name  (4)：
  • 5,17-ジ-tert-ブチル-11,23-ビス(3-メチル-1-アザ-3-アゾニア-2,4-シクロペンタジエン-1-イルメチル)-25,26,27,28-テトラプロポキシペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン
  • 11,23-ジ-tert-ブチル-25,26,27,28-テトラプロポキシ-5,17-ビス[(3-メチル-1H-イミダゾール-3-イウム)-1-イルメチル]ペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン
  • 1-({11,23-ジ-tert-ブチル-17-[(3-メチル-1H-イミダゾール-3-イウム-1-イル)メチル]-25,26,27,28-テトラプロポキシペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン-5-イル}メチル)-3-メチル-1H-イミダゾール-3-イウム
  • 1-({11,23-di-tert-butyl-17-[(3-methyl-1H-imidazol-3-ium-1-yl)methyl]-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaen-5-yl}methyl)-3-methyl-1H-imidazol-3-ium
Other name (2)：
  • 5,17-Di-tert-butyl-11,23-bis(3-methyl-1-aza-3-azonia-2,4-cyclopentadiene-1-ylmethyl)-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecene
  • 11,23-Di-tert-butyl-25,26,27,28-tetrapropoxy-5,17-bis[(3-methyl-1H-imidazole-3-ium)-1-ylmethyl]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene
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