Chem
J-GLOBAL ID:200907051425250942   Nikkaji number:J1.056.836F

5,11,17,23,29,35-Hexa-tert-butyl-37,39,41-tris(2-pyridylmethoxy)-38,40,42-trimethoxyheptacyclo[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-ヘキサ-tert-ブチル-37,39,41-トリス(2-ピリジルメトキシ)-38,40,42-トリ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
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: C87H105N3O6
Molecular formula furigana: C87-H105-N3-O6
Molecular weight: 1288.812
InChI: InChI=1S/C87H105N3O6/c1-82(2,3)67-40-55-34-61-46-70(85(10,11)12)48-63(79(61)94-52-73-28-22-25-31-88-73)36-57-42-68(83(4,5)6)44-59(77(57)92-20)38-65-50-72(87(16,17)18)51-66(81(65)96-54-75-30-24-27-33-90-75)39-60-45-69(84(7,8)9)43-58(78(60)93-21)37-64-49-71(86(13,14)15)47-62(35-56(41-67)76(55)91-19)80(64)95-53-74-29-23-26-32-89-74/h22-33,40-51H,34-39,52-54H2,1-21H3
InChI key: YTXFKTSBVXOPSD-UHFFFAOYSA-N
SMILES: COc1c2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc6cc(cc(Cc7cc(cc(Cc1cc(c2)C(C)(C)C)c7OCc1ccccn1)C(C)(C)C)c6OC)C(C)(C)C)c5OCc1ccccn1)C(C)(C)C)c4OC)C(C)(C)C)c3OCc1ccccn1)C(C)(C)C
Systematic name  (6):
  • 5,11,17,23,29,35-ヘキサキス-tert-ブチル-37,39,41-トリメトキシ-38,40,42-トリス(2-ピリジルメトキシ)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-tert-ブチル-37,39,41-トリメトキシ-38,40,42-トリス[(2-ピリジニル)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
  • 37,39,41-トリス(2-ピリジルメトキシ)-38,40,42-トリメトキシ-5,11,17,23,29,35-ヘキサキス-tert-ブチルヘプタシクロ[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
  • 5,11,17,23,29,35-ヘキサ-tert-ブチル-37,39,41-トリス(2-ピリジルメトキシ)-38,40,42-トリ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
  • 2-[({5,11,17,23,29,35-ヘキサ-tert-ブチル-38,40,42-トリメトキシ-39,41-ビス[(ピリジン-2-イル)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-イル}オキシ)メチル]ピリジン
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Other name (4):
  • 5,11,17,23,29,35-Hexakis-tert-butyl-37,39,41-trimethoxy-38,40,42-tris(2-pyridylmethoxy)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-octadecene
  • 5,11,17,23,29,35-Hexa-tert-butyl-37,39,41-trimethoxy-38,40,42-tris[(2-pyridinyl)methoxy]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-octadecene
  • 37,39,41-Tris(2-pyridylmethoxy)-38,40,42-trimethoxy-5,11,17,23,29,35-hexakis-tert-butylheptacyclo[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-Hexa-tert-butyl-37,39,41-tris(2-pyridylmethoxy)-38,40,42-trimethoxyheptacyclo[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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