Chem
J-GLOBAL ID：200907091702851233   Nikkaji number：J1.163.970D

5,9,9,13,19,23,23,27-Octamethyl-9,23-diazoniapentacyclo[23.3.1.13,7.111,15.117,21]dotriaconta-1(29),3,5,7(32),11,13,15(31),17,19,21(30),25,27-dodecene-29,30,31,32-tetrol

5,9,9,13,19,23,23,27-オクタメチル-9,23-ジアゾニアペンタシクロ[23.3.1.13,7.111,15.117,21]ドトリアコンタ-1(29),3,5,7(32),11,13,15(31),17,19,21(30),25,27-ドデカエン-29,30,31,32-テトラオール
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： C38H48[N+]2O4
Molecular formula furigana： C38-H48-N2-O4
Molecular weight： 596.811
InChI： InChI=1S/C38H46N2O4/c1-23-9-27-17-28-10-24(2)14-33(36(28)42)21-40(7,8)22-34-16-26(4)12-30(38(34)44)18-29-11-25(3)15-32(37(29)43)20-39(5,6)19-31(13-23)35(27)41/h9-16H,17-22H2,1-8H3,(H2-2,41,42,43,44)/p+2
InChI key： GWJNZVUCEYIJEO-UHFFFAOYSA-P
SMILES： Cc1cc2Cc3cc(C)cc(C[N+](C)(C)Cc4cc(C)cc(Cc5cc(C)cc(C[N+](C)(C)Cc(c1)c2O)c5O)c4O)c3O
Systematic name  (3)：
  • 5,9,9,13,19,23,23,27-オクタメチル-9,23-ジアゾニアペンタシクロ[23.3.1.13,7.111,15.117,21]ドトリアコンタ-1(29),3,5,7(32),11,13,15(31),17,19,21(30),25,27-ドデカエン-29,30,31,32-テトラオール
  • 29,30,31,32-テトラヒドロキシ-5,9,9,13,19,23,23,27-オクタメチル-9,23-ジアザペンタシクロ[23.3.1.13,7.111,15.117,21]ドトリアコンタ-1(29),3,5,7(32),11,13,15(31),17,19,21(30),25,27-ドデカエン-9,23-ジイウム
  • 29,30,31,32-tetrahydroxy-5,9,9,13,19,23,23,27-octamethyl-9,23-diazapentacyclo[23.3.1.13,7.111,15.117,21]dotriaconta-1(29),3,5,7(32),11,13,15(31),17,19,21(30),25,27-dodecaene-9,23-diium
Other name (1)：
  • 5,9,9,13,19,23,23,27-Octamethyl-9,23-diazoniapentacyclo[23.3.1.13,7.111,15.117,21]dotriaconta-1(29),3,5,7(32),11,13,15(31),17,19,21(30),25,27-dodecene-29,30,31,32-tetrol
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