Chem
J-GLOBAL ID：200907071890014415
Nikkaji number：J2.770.334H
2,8,14,20,26-Pentakis(3,5-dimethyl-1H-pyrazole-4-yl)-5,11,17,23,29-pentatert-butyl-31,32,33,34,35-pentamethoxyhexacyclo[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
2,8,14,20,26-ペンタキス(3,5-ジメチル-1H-ピラゾール-4-イル)-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
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： C85H110N10O5
Molecular formula furigana： C85-H110-N10-O5
Molecular weight： 1351.880
InChI：
InChI=1S/C85H110N10O5/c1-41-66(42(2)87-86-41)71-56-31-51(81(11,12)13)33-58(76(56)96-26)72(67-43(3)88-89-44(67)4)60-35-53(83(17,18)19)37-62(78(60)98-28)74(69-47(7)92-93-48(69)8)64-39-55(85(23,24)25)40-65(80(64)100-30)75(70-49(9)94-95-50(70)10)63-38-54(84(20,21)22)36-61(79(63)99-29)73(68-45(5)90-91-46(68)6)59-34-52(82(14,15)16)32-57(71)77(59)97-27/h31-40,71-75H,1-30H3,(H,86,87)(H,88,89)(H,90,91)(H,92,93)(H,94,95)
InChI key：
HTVZJJCZVDKSDS-UHFFFAOYSA-N
SMILES：
COc1c2cc(cc1C(c1c(C)n[nH]c1C)c1cc(cc(C(c3c(C)n[nH]c3C)c3cc(cc(C(c4c(C)n[nH]c4C)c4cc(cc(C(c5c(C)n[nH]c5C)c5cc(cc(C2c2c(C)n[nH]c2C)c5OC)C(C)(C)C)c4OC)C(C)(C)C)c3OC)C(C)(C)C)c1OC)C(C)(C)C)C(C)(C)C
Systematic name (3)：
- 2,8,14,20,26-ペンタキス(3,5-ジメチル-1H-ピラゾール-4-イル)-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
- 3,5-ジメチル-4-[5,11,17,23,29-ペンタ-tert-ブチル-8,14,20,26-テトラキス(3,5-ジメチル-1H-ピラゾール-4-イル)-31,32,33,34,35-ペンタメトキシヘキサシクロ[25.3.1.13,7.19,13.115,19.121,25]ペンタトリアコンタ-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21,23,25(32),27(31),28-ペンタデカエン-2-イル]-1H-ピラゾール
- 3,5-dimethyl-4-[5,11,17,23,29-penta-tert-butyl-8,14,20,26-tetrakis(3,5-dimethyl-1H-pyrazol-4-yl)-31,32,33,34,35-pentamethoxyhexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21,23,25(32),27(31),28-pentadecaen-2-yl]-1H-pyrazole
- 2,8,14,20,26-Pentakis(3,5-dimethyl-1H-pyrazole-4-yl)-5,11,17,23,29-pentatert-butyl-31,32,33,34,35-pentamethoxyhexacyclo[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
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