Chem
J-GLOBAL ID：200907034502227884
Nikkaji number：J2.123.300E
1,1′,1′′,1′′′,1′′′′,1′′′′′,1′′′′′′,1′′′′′′′-[49,50,51,52,53,54,55,56-Octamethoxynonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosene-5,11,17,23,30,36,42,48-octyl]octakis(guanidinium)
N4,N10,N16,N22,N29,N35,N41,N47-オクタキス(ジアミノメチリデン)-49,50,51,52,53,54,55,56-オクタメトキシノナシクロ[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]ヘキサペンタコンタ-1(48),3(56),4,6,9(55),10,12,15(54),16,18,21(53),22,24,27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-テトラコサエン-4,10,16,22,29,35,41,47-オクタキス(アミニウム)
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
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
Molecular formula： C72H96N16[N+]8O8
Molecular formula furigana： C72-H96-N24-O8
Molecular weight： 1425.716
InChI：
InChI=1S/C72H88N24O8/c1-97-57-37-17-33-9-13-53(93-69(81)82)49(61(33)101-5)29-34-10-14-54(94-70(83)84)50(62(34)102-6)30-35-11-15-55(95-71(85)86)51(63(35)103-7)31-36-12-16-56(96-72(87)88)52(64(36)104-8)32-44-28-48(92-68(79)80)27-43(60(44)100-4)20-42-26-47(91-67(77)78)25-41(59(42)99-3)19-40-24-46(90-66(75)76)23-39(58(40)98-2)18-38(57)22-45(21-37)89-65(73)74/h9-16,21-28H,17-20,29-32H2,1-8H3,(H4,73,74,89)(H4,75,76,90)(H4,77,78,91)(H4,79,80,92)(H4,81,82,93)(H4,83,84,94)(H4,85,86,95)(H4,87,88,96)/p+8
InChI key：
KDPQQRKAQMYXQC-UHFFFAOYSA-V
SMILES：
COc1c2Cc3ccc([NH+]=C(N)N)c(Cc4ccc([NH+]=C(N)N)c(Cc5ccc([NH+]=C(N)N)c(Cc6ccc([NH+]=C(N)N)c(Cc7cc(cc(Cc8cc(cc(Cc9cc(cc(Cc1cc(c2)[NH+]=C(N)N)c9OC)[NH+]=C(N)N)c8OC)[NH+]=C(N)N)c7OC)[NH+]=C(N)N)c6OC)c5OC)c4OC)c3OC
Systematic name (3)：
- 1,1′,1′′,1′′′,1′′′′,1′′′′′,1′′′′′′,1′′′′′′′-[49,50,51,52,53,54,55,56-オクタメトキシノナシクロ[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]ヘキサペンタコンタ-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-テトラコサエン-5,11,17,23,30,36,42,48-オクタイル]オクタキス(グアニジニウム)
- N4,N10,N16,N22,N29,N35,N41,N47-オクタキス(ジアミノメチリデン)-49,50,51,52,53,54,55,56-オクタメトキシノナシクロ[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]ヘキサペンタコンタ-1(48),3(56),4,6,9(55),10,12,15(54),16,18,21(53),22,24,27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-テトラコサエン-4,10,16,22,29,35,41,47-オクタキス(アミニウム)
- N4,N10,N16,N22,N29,N35,N41,N47-octakis(diaminomethylidene)-49,50,51,52,53,54,55,56-octamethoxynonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3(56),4,6,9(55),10,12,15(54),16,18,21(53),22,24,27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaen-4,10,16,22,29,35,41,47-octakis(aminium)
- 1,1′,1′′,1′′′,1′′′′,1′′′′′,1′′′′′′,1′′′′′′′-[49,50,51,52,53,54,55,56-Octamethoxynonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosene-5,11,17,23,30,36,42,48-octyl]octakis(guanidinium)
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