Chem
J-GLOBAL ID：200907072719685260   Nikkaji number：J1.189.916A

7,7′,7′′-[[6,13,20-Tri-tert-butyl-3,10,17-trioxatetracyclo[16.3.1.14,8.111,15]tetracosa-1(22),4,6,8(24),11,13,15(23),18,20-nonaene]-22,23,24-triyltrisoxy]tris(N,N,N-trimethyl-6-oxo-5-azaheptane-1-aminium)

7,7′,7′′-[[6,13,20-トリ-tert-ブチル-3,10,17-トリオキサテトラシクロ[16.3.1.14,8.111,15]テトラコサ-1(22),4,6,8(24),11,13,15(23),18,20-ノナエン]-22,23,24-トリイルトリスオキシ]トリス(N,N,N-トリメチル-6-オキソ-5-アザヘプタン-1-アミニウム)
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： C60H99N3[N+]3O9
Molecular formula furigana： C60-H99-N6-O9
Molecular weight： 1048.483
InChI： InChI=1S/C60H96N6O9/c1-58(2,3)46-31-43-37-71-50-35-48(60(7,8)9)33-45(57(50)75-42-54(69)63-27-21-24-30-66(16,17)18)39-72-51-36-47(59(4,5)6)32-44(56(51)74-41-53(68)62-26-20-23-29-65(13,14)15)38-70-49(34-46)55(43)73-40-52(67)61-25-19-22-28-64(10,11)12/h31-36H,19-30,37-42H2,1-18H3/p+3
InChI key： UJUYCVJAYCGWOO-UHFFFAOYSA-Q
SMILES： CC(C)(C)c1cc2COc3cc(cc(COc4cc(cc(COc(c1)c2OCC(=O)NCCCC[N+](C)(C)C)c4OCC(=O)NCCCC[N+](C)(C)C)C(C)(C)C)c3OCC(=O)NCCCC[N+](C)(C)C)C(C)(C)C
Systematic name  (3)：
  • 7,7′,7′′-[[6,13,20-トリ-tert-ブチル-3,10,17-トリオキサテトラシクロ[16.3.1.14,8.111,15]テトラコサ-1(22),4,6,8(24),11,13,15(23),18,20-ノナエン]-22,23,24-トリイルトリスオキシ]トリス(N,N,N-トリメチル-6-オキソ-5-アザヘプタン-1-アミニウム)
  • トリメチル[4-(2-{[6,13,20-トリ-tert-ブチル-23,24-ビス({[4-(トリメチルアザニウミル)ブチル]カルバモイル}メトキシ)-2,9,16-トリオキサテトラシクロ[16.3.1.14,8.111,15]テトラコサ-1(21),4(24),5,7,11(23),12,14,18(22),19-ノナエン-22-イル]オキシ}アセトアミド)ブチル]アザニウム
  • trimethyl[4-(2-{[6,13,20-tri-tert-butyl-23,24-bis({[4-(trimethylazaniumyl)butyl]carbamoyl}methoxy)-2,9,16-trioxatetracyclo[16.3.1.14,8.111,15]tetracosa-1(21),4(24),5,7,11(23),12,14,18(22),19-nonaen-22-yl]oxy}acetamido)butyl]azanium
Other name (1)：
  • 7,7′,7′′-[[6,13,20-Tri-tert-butyl-3,10,17-trioxatetracyclo[16.3.1.14,8.111,15]tetracosa-1(22),4,6,8(24),11,13,15(23),18,20-nonaene]-22,23,24-triyltrisoxy]tris(N,N,N-trimethyl-6-oxo-5-azaheptane-1-aminium)
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