Chem
J-GLOBAL ID：200907023914772699   Nikkaji number：J1.169.961H

5,17-Bis[(2,4,6-trioxohexahydro-1,3,5-triazine-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-dodecene

5,17-ビス[(2,4,6-トリオキソヘキサヒドロ-1,3,5-トリアジン-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
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： C48H54N6O10
Molecular formula furigana： C48-H54-N6-O10
Molecular weight： 874.992
InChI： InChI=1S/C48H54N6O10/c1-5-15-61-39-31-11-9-12-32(39)24-36-20-30(28-54-47(59)51-44(56)52-48(54)60)22-38(42(36)64-18-8-4)26-34-14-10-13-33(40(34)62-16-6-2)25-37-21-29(19-35(23-31)41(37)63-17-7-3)27-53-45(57)49-43(55)50-46(53)58/h9-14,19-22H,5-8,15-18,23-28H2,1-4H3,(H2,49,50,55,57,58)(H2,51,52,56,59,60)
InChI key： XECSFIJKNFLYLP-UHFFFAOYSA-N
SMILES： CCCOc1c2Cc3cc(Cn4c(=O)[nH]c(=O)[nH]c4=O)cc(Cc4cccc(Cc5cc(Cn6c(=O)[nH]c(=O)[nH]c6=O)cc(Cc1ccc2)c5OCCC)c4OCCC)c3OCCC
Systematic name  (4)：
  • 1,1′-[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-ジイルビスメチレン]ビス[1,3,5-トリアジン-2,4,6(1H,3H,5H)-トリオン]
  • 5,17-ビス[(2,4,6-トリオキソヘキサヒドロ-1,3,5-トリアジン-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
  • 1-({25,26,27,28-テトラプロポキシ-17-[(2,4,6-トリオキソ-1,3,5-トリアジナン-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-5-イル}メチル)-1,3,5-トリアジナン-2,4,6-トリオン
  • 1-({25,26,27,28-tetrapropoxy-17-[(2,4,6-trioxo-1,3,5-triazinan-1-yl)methyl]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-dodecaen-5-yl}methyl)-1,3,5-triazinane-2,4,6-trione
Other name (2)：
  • 1,1′-[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-diylbismethylene]bis[1,3,5-triazine-2,4,6(1H,3H,5H)-trione]
  • 5,17-Bis[(2,4,6-trioxohexahydro-1,3,5-triazine-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-dodecene
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