Chem
J-GLOBAL ID：200907048925280430   Nikkaji number：J1.454.513A

Decamethylcucurbituril(5)

デカメチルククルビツリル[5]
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： C40H50N20O10
Molecular formula furigana： C40-H50-N20-O10
Molecular weight： 970.970
InChI： InChI=1S/C40H50N20O10/c1-31-32(2)43-13-47-25(65)51-17-55-29(69)59-19-57-27(67)53-15-49-23(63)45(11-41(31)21(43)61)33(3)34(49,4)50-16-54-28(68)58(38(57,8)37(53,54)7)20-60-30(70)56(39(55,9)40(59,60)10)18-52-26(66)48(35(47,5)36(51,52)6)14-44(32)22(62)42(31)12-46(33)24(50)64/h11-20H2,1-10H3
InChI key： JQAZCGZEMNEHNM-UHFFFAOYSA-N
SMILES： CC12N3CN4C(=O)N5CN6C(=O)N7CN8C(=O)N9CN%10C(=O)N%11CN(C3=O)C1(C)N1CN3C(=O)N(CN%12C(=O)N(CN%13C(=O)N(CN%14C(=O)N(CN2C1=O)C4(C)C5%14C)C6(C)C7%13C)C8(C)C9%12C)C%10(C)C%113C
Systematic name  (4)：
  • 1,1′,3,3′-(1,2-ジメチル-1,1,2,2-エタンテトライル)-5,5′,7,7′-(1,2-ジメチル-1,1,2,2-エタンテトライル)-9,9′,11,11′-(1,2-ジメチル-1,1,2,2-エタンテトライル)-13,13′,15,15′-(1,2-ジメチル-1,1,2,2-エタンテトライル)-17,17′,19,19′-(1,2-ジメチル-1,1,2,2-エタンテトライル)ビス(1,3,5,7,9,11,13,15,17,19-デカアザシクロイコサン-2,6,10,14,18-ペンタオン)
  • 1,1′,3,3′-(2,2,3,3-ブタンテトライル)-5,5′,7,7′-(2,2,3,3-ブタンテトライル)-9,9′,11,11′-(2,2,3,3-ブタンテトライル)-13,13′,15,15′-(2,2,3,3-ブタンテトライル)-17,17′,19,19′-(2,2,3,3-ブタンテトライル)ビス(1,3,5,7,9,11,13,15,17,19-デカアザシクロイコサン-2,6,10,14,18-ペンタオン)
  • 6,14,20,21,27,28,34,35,44,49-デカメチル-1,3,5,7,9,11,13,15,17,19,22,24,26,29,31,33,37,39,45,47-イコサアザヘキサデカシクロ[17.16.5.55,11.16,9.17,33.113,22.126,29.03,34.017,21.020,24.027,39.028,37.031,35.115,45.014,44.047,49]ペンタコンタン-2,8,12,18,23,32,38,42,48,50-デカオン
  • 6,14,20,21,27,28,34,35,44,49-decamethyl-1,3,5,7,9,11,13,15,17,19,22,24,26,29,31,33,37,39,45,47-icosaazahexadecacyclo[17.16.5.55,11.16,9.17,33.113,22.126,29.03,34.017,21.020,24.027,39.028,37.031,35.115,45.014,44.047,49]pentacontane-2,8,12,18,23,32,38,42,48,50-decone
Other name (6)：
  • 1,1′,3,3′-(1,2-Dimethyl-1,1,2,2-ethanetetryl)-5,5′,7,7′-(1,2-dimethyl-1,1,2,2-ethanetetryl)-9,9′,11,11′-(1,2-dimethyl-1,1,2,2-ethanetetryl)-13,13′,15,15′-(1,2-dimethyl-1,1,2,2-ethanetetryl)-17,17′,19,19′-(1,2-dimethyl-1,1,2,2-ethanetetryl)bis(1,3,5,7,9,11,13,15,17,19-decaazacycloicosane-2,6,10,14,18-pentone)
  • デカメチルククルビツリル[5]
  • 1,1′,3,3′-(2,2,3,3-Butanetetryl)-5,5′,7,7′-(2,2,3,3-butanetetryl)-9,9′,11,11′-(2,2,3,3-butanetetryl)-13,13′,15,15′-(2,2,3,3-butanetetryl)-17,17′,19,19′-(2,2,3,3-butanetetryl)bis(1,3,5,7,9,11,13,15,17,19-decaazacycloicosane-2,6,10,14,18-pentone)
  • Decamethylcucurbituril[5]
  • デカメチルククルビト[5]ウリル
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