Chem
J-GLOBAL ID:200907048359359058   Nikkaji number:J1.879.190K

5,17,29-Tri-tert-butyl-11,23,35-tris(3-phenylureido)-37,39,41-tris(2-ethoxyethoxy)-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

5,17,29-トリ-tert-ブチル-11,23,35-トリス(3-フェニルウレイド)-37,39,41-トリス(2-エトキシエトキシ)-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: C90H108N6O12
Molecular formula furigana: C90-H108-N6-O12
Molecular weight: 1465.884
InChI: InChI=1S/C90H108N6O12/c1-16-103-34-37-106-82-64-40-58-46-70(88(4,5)6)48-60(79(58)100-13)42-66-54-77(95-86(98)92-74-30-24-20-25-31-74)56-68(83(66)107-38-35-104-17-2)44-62-50-72(90(10,11)12)51-63(81(62)102-15)45-69-57-78(96-87(99)93-75-32-26-21-27-33-75)55-67(84(69)108-39-36-105-18-3)43-61-49-71(89(7,8)9)47-59(80(61)101-14)41-65(82)53-76(52-64)94-85(97)91-73-28-22-19-23-29-73/h19-33,46-57H,16-18,34-45H2,1-15H3,(H2,91,94,97)(H2,92,95,98)(H2,93,96,99)
InChI key: MULOKOBWACQAPE-UHFFFAOYSA-N
SMILES: CCOCCOc1c2Cc3cc(cc(Cc4cc(NC(=O)Nc5ccccc5)cc(Cc5cc(cc(Cc6cc(NC(=O)Nc7ccccc7)cc(Cc7cc(cc(Cc1cc(NC(=O)Nc1ccccc1)c2)c7OC)C(C)(C)C)c6OCCOCC)c5OC)C(C)(C)C)c4OCCOCC)c3OC)C(C)(C)C
Systematic name  (9):
  • 1,1′,1′′-[11,23,35-トリ-tert-ブチル-37,39,41-トリメトキシ-38,40,42-トリス(2-エトキシエトキシ)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-5,17,29-トリイル]トリス(3-フェニル尿素)
  • 5,17,29-トリス(3-フェニルウレイド)-11,23,35-トリス-tert-ブチル-38,40,42-トリス(2-エトキシエトキシ)-37,39,41-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
  • 1,1′,1′′-[38,40,42-トリス(2-エトキシエトキシ)-37,39,41-トリメトキシ-11,23,35-トリ-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-5,17,29-トリイル]トリス(3-フェニル尿素)
  • 1,1′,1′′-[11,23,35-トリス-tert-ブチル-38,40,42-トリス(2-エトキシエトキシ)-37,39,41-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-5,17,29-トリイル]トリス(3-フェニル尿素)
  • 38,40,42-トリメトキシ-37,39,41-トリス(2-エトキシエトキシ)-5,17,29-トリ-tert-ブチル-11,23,35-トリス(フェニルアミノカルボニルアミノ)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
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Other name (7):
  • 1,1′,1′′-[11,23,35-Tri-tert-butyl-37,39,41-trimethoxy-38,40,42-tris(2-ethoxyethoxy)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-5,17,29-triyl]tris(3-phenylurea)
  • 5,17,29-Tris(3-phenylureido)-11,23,35-tris-tert-butyl-38,40,42-tris(2-ethoxyethoxy)-37,39,41-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
  • 1,1′,1′′-[38,40,42-Tris(2-ethoxyethoxy)-37,39,41-trimethoxy-11,23,35-tri-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-5,17,29-triyl]tris(3-phenylurea)
  • 1,1′,1′′-[11,23,35-Tris-tert-butyl-38,40,42-tris(2-ethoxyethoxy)-37,39,41-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-5,17,29-triyl]tris(3-phenylurea)
  • 38,40,42-Trimethoxy-37,39,41-tris(2-ethoxyethoxy)-5,17,29-tri-tert-butyl-11,23,35-tris(phenylaminocarbonylamino)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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