Chem
J-GLOBAL ID:200907025489547425   Nikkaji number:J2.766.315J

37,38,39,40,41,42-Hexamethoxy-5,11,17,23,29,35-hexakis(1H-imidazole-1-ylmethyl)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(1H-イミダゾール-1-イルメチル)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
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: C72H72N12O6
Molecular formula furigana: C72-H72-N12-O6
Molecular weight: 1201.446
InChI: InChI=1S/C72H72N12O6/c1-85-67-55-19-49(37-79-13-7-73-43-79)20-56(67)32-58-22-51(39-81-15-9-75-45-81)24-60(69(58)87-3)34-62-26-53(41-83-17-11-77-47-83)28-64(71(62)89-5)36-66-30-54(42-84-18-12-78-48-84)29-65(72(66)90-6)35-63-27-52(40-82-16-10-76-46-82)25-61(70(63)88-4)33-59-23-50(38-80-14-8-74-44-80)21-57(31-55)68(59)86-2/h7-30,43-48H,31-42H2,1-6H3
InChI key: AVSPBIBCLZDBBS-UHFFFAOYSA-N
SMILES: COc1c2Cc3cc(Cn4ccnc4)cc(Cc4cc(Cn5ccnc5)cc(Cc5cc(Cn6ccnc6)cc(Cc6cc(Cn7ccnc7)cc(Cc7cc(Cn8ccnc8)cc(Cc1cc(Cn1ccnc1)c2)c7OC)c6OC)c5OC)c4OC)c3OC
Systematic name  (3):
  • 37,38,39,40,41,42-ヘキサメトキシ-5,11,17,23,29,35-ヘキサキス(1H-イミダゾール-1-イルメチル)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
  • 1-({11,17,23,29,35-ペンタキス[(1H-イミダゾール-1-イル)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-5-イル}メチル)-1H-イミダゾール
  • 1-({11,17,23,29,35-pentakis[(1H-imidazol-1-yl)methyl]-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-octadecaen-5-yl}methyl)-1H-imidazole
Other name (1):
  • 37,38,39,40,41,42-Hexamethoxy-5,11,17,23,29,35-hexakis(1H-imidazole-1-ylmethyl)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
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