Chem
J-GLOBAL ID:200907050373153017   Nikkaji number:J1.946.269B

5,17-(25-Methoxy-26,28-dipropoxypentacyclo[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-5,17-diylbismethylidynenitrilo)-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-dodecaene

58-メトキシ-9,19,28,38,46,48-ヘキサプロポキシ-4,24-ジアザウンデカシクロ[25.11.7.78,20.13,37.16,10.112,16.118,22.125,29.131,35.140,44.152,56]ヘキサコンタ-1,3(47),4,6,8,10(59),12(58),13,15,18,20,22(50),23,25,27,29(49),31(48),32,34,37,40(46),41,43,52(60),53,55-ヘキサコサエン
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: C77H84N2O7
Molecular formula furigana: C77-H84-N2-O7
Molecular weight: 1149.526
InChI: InChI=1S/C77H84N2O7/c1-8-26-81-72-57-22-16-23-58(72)42-66-46-70-48-68(77(66)86-31-13-6)44-60-25-17-24-59(73(60)82-27-9-2)43-67-47-69(45-65(41-57)76(67)85-30-12-5)78-49-53-35-61-33-51-18-14-19-52(32-51)34-62-36-54(50-79-70)38-64(75(62)84-29-11-4)40-56-21-15-20-55(71(56)80-7)39-63(37-53)74(61)83-28-10-3/h14-25,32,35-38,45-50H,8-13,26-31,33-34,39-44H2,1-7H3
InChI key: UMYBYAQCMLPUHZ-UHFFFAOYSA-N
SMILES: CCCOc1c2Cc3cc4cc(Cc5cccc(Cc6cc(cc(Cc1ccc2)c6OCCC)N=Cc1cc2Cc6cccc(Cc7cc(cc(Cc8cccc(Cc(c1)c2OCCC)c8OC)c7OCCC)C=N4)c6)c5OCCC)c3OCCC
Systematic name  (4):
  • 5,17-[[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-5,17-ジイル]ビス(ニトリロメチリジン)]-26,28-ジプロポキシ-25-メトキシペンタシクロ[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
  • 5,17-(25-メトキシ-26,28-ジ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-5,17-ジイルビスメチリジンニトリロ)-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
  • 58-メトキシ-9,19,28,38,46,48-ヘキサプロポキシ-4,24-ジアザウンデカシクロ[25.11.7.78,20.13,37.16,10.112,16.118,22.125,29.131,35.140,44.152,56]ヘキサコンタ-1,3(47),4,6,8,10(59),12(58),13,15,18,20,22(50),23,25,27,29(49),31(48),32,34,37,40(46),41,43,52(60),53,55-ヘキサコサエン
  • 58-methoxy-9,19,28,38,46,48-hexapropoxy-4,24-diazaundecacyclo[25.11.7.78,20.13,37.16,10.112,16.118,22.125,29.131,35.140,44.152,56]hexaconta-1,3(47),4,6,8,10(59),12(58),13,15,18,20,22(50),23,25,27,29(49),31(48),32,34,37,40(46),41,43,52(60),53,55-hexacosaene
Other name (2):
  • 5,17-[[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-5,17-diyl]bis(nitrilomethylidyne)]-26,28-dipropoxy-25-methoxypentacyclo[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
  • 5,17-(25-Methoxy-26,28-dipropoxypentacyclo[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-5,17-diylbismethylidynenitrilo)-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-dodecaene
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