Chem
J-GLOBAL ID:201307044151219721   Nikkaji number:J3.155.423C

2,8,14-Tribenzyl-31,32,33,34,35-pentamethoxy-5,11,17,23,29-penta-tert-butyl-2,8,14,20,26-pentaazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriacontane-1(31),3,5,7(35),9,11,13(34),15,17,19(33),21,23,25(32),27,29-pentadecaene

2,8,14-トリベンジル-5,11,17,23,29-ペンタ-tert-ブチル-31,32,33,34,35-ペンタメトキシ-2,8,14,20,26-ペンタアザヘキサシクロ[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(32),22,24,27,29-ペンタデカエン
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: C76H93N5O5
Molecular formula furigana: C76-H93-N5-O5
Molecular weight: 1156.610
InChI: InChI=1S/C76H93N5O5/c1-72(2,3)52-36-57-67(82-16)58(37-52)78-60-39-54(74(7,8)9)41-62(69(60)84-18)80(47-50-32-26-22-27-33-50)64-43-56(76(13,14)15)45-66(71(64)86-20)81(48-51-34-28-23-29-35-51)65-44-55(75(10,11)12)42-63(70(65)85-19)79(46-49-30-24-21-25-31-49)61-40-53(73(4,5)6)38-59(77-57)68(61)83-17/h21-45,77-78H,46-48H2,1-20H3
InChI key: GTFKZTGLTLZPTI-UHFFFAOYSA-N
SMILES: COc1c2cc(cc1Nc1cc(cc(c1OC)N(Cc1ccccc1)c1cc(cc(c1OC)N(Cc1ccccc1)c1cc(cc(c1OC)N(Cc1ccccc1)c1cc(cc(N2)c1OC)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C
Systematic name  (3):
  • 2,8,14-トリベンジル-31,32,33,34,35-ペンタメトキシ-5,11,17,23,29-ペンタ-tert-ブチル-2,8,14,20,26-ペンタアザヘキサシクロ[25.3.1.13,7.19,13.115,19.121,25]ペンタトリアコンタン-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
  • 2,8,14-トリベンジル-5,11,17,23,29-ペンタ-tert-ブチル-31,32,33,34,35-ペンタメトキシ-2,8,14,20,26-ペンタアザヘキサシクロ[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(32),22,24,27,29-ペンタデカエン
  • 2,8,14-tribenzyl-5,11,17,23,29-penta-tert-butyl-31,32,33,34,35-pentamethoxy-2,8,14,20,26-pentaazahexacyclo[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(32),22,24,27,29-pentadecaene
Other name (1):
  • 2,8,14-Tribenzyl-31,32,33,34,35-pentamethoxy-5,11,17,23,29-penta-tert-butyl-2,8,14,20,26-pentaazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriacontane-1(31),3,5,7(35),9,11,13(34),15,17,19(33),21,23,25(32),27,29-pentadecaene
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