Chem
J-GLOBAL ID:200907050272127619   Nikkaji number:J886.330J

2-(4-Nitrophenyl)-5,11,17,23,29-penta-tert-butylhexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3,5,7(35),9,11,13(34),15,17,19(33),21,23,25(32),27,29-pentadecaene-31,32,33,34,35-pentaol

2-(4-ニトロフェニル)-5,11,17,23,29-ペンタ-tert-ブチルヘキサシクロ[25.3.1.13,7.19,13.115,19.121,25]ペンタトリアコンタ-1(31),3,5,7(35),9,11,13(34),15,17,19(33),21,23,25(32),27,29-ペンタデカエン-31,32,33,34,35-ペンタオール
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: C61H73[N+]O6[O-]
Molecular formula furigana: C61-H73-N-O7
Molecular weight: 932.255
InChI: InChI=1S/C61H73NO7/c1-57(2,3)43-24-35-20-37-26-44(58(4,5)6)28-39(53(37)64)22-41-30-46(60(10,11)12)32-49(55(41)66)51(34-16-18-48(19-17-34)62(68)69)50-33-47(61(13,14)15)31-42(56(50)67)23-40-29-45(59(7,8)9)27-38(54(40)65)21-36(25-43)52(35)63/h16-19,24-33,51,63-67H,20-23H2,1-15H3
InChI key: ZZSGXLVLYXWMRZ-UHFFFAOYSA-N
SMILES: CC(C)(C)c1cc2Cc3cc(cc(Cc4cc(cc(C(c5ccc(cc5)[N+](=O)[O-])c5cc(cc(Cc6cc(cc(Cc(c1)c2O)c6O)C(C)(C)C)c5O)C(C)(C)C)c4O)C(C)(C)C)c3O)C(C)(C)C
Systematic name  (3):
  • 2-(4-ニトロフェニル)-5,11,17,23,29-ペンタ-tert-ブチルヘキサシクロ[25.3.1.13,7.19,13.115,19.121,25]ペンタトリアコンタ-1(31),3,5,7(35),9,11,13(34),15,17,19(33),21,23,25(32),27,29-ペンタデカエン-31,32,33,34,35-ペンタオール
  • 5,11,17,23,29-ペンタ-tert-ブチル-2-(4-ニトロフェニル)ヘキサシクロ[25.3.1.13,7.19,13.115,19.121,25]ペンタトリアコンタ-1(31),3,5,7(35),9,11,13(34),15,17,19(33),21,23,25(32),27,29-ペンタデカエン-31,32,33,34,35-ペンタオール
  • 5,11,17,23,29-penta-tert-butyl-2-(4-nitrophenyl)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3,5,7(35),9,11,13(34),15,17,19(33),21,23,25(32),27,29-pentadecaene-31,32,33,34,35-pentol
Other name (1):
  • 2-(4-Nitrophenyl)-5,11,17,23,29-penta-tert-butylhexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3,5,7(35),9,11,13(34),15,17,19(33),21,23,25(32),27,29-pentadecaene-31,32,33,34,35-pentaol
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