Chem
J-GLOBAL ID：200907025999460081   Nikkaji number：J1.465.847E

N-Undecyl-13,18,27,32,41-pentadodecyltridecacyclo[36.4.0.02,7.06,11.08,37.09,22.010,15.016,21.020,25.023,36.024,29.030,35.034,39]dotetracontane-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-henicosene-4-amine

N-ウンデシル-13,18,27,32,41-ペンタドデシルトリデカシクロ[36.4.0.02,7.06,11.08,37.09,22.010,15.016,21.020,25.023,36.024,29.030,35.034,39]ドテトラコンタン-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-ヘニコサエン-4-アミン
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： C113H161N
Molecular formula furigana： C113-H161-N
Molecular weight： 1533.538
InChI： InChI=1S/C113H161N/c1-7-13-19-25-31-37-42-48-54-60-66-84-72-90-92-74-85(67-61-55-49-43-38-32-26-20-14-8-2)76-94-96-78-87(69-63-57-51-45-40-34-28-22-16-10-4)80-98-100-82-89(114-71-65-59-53-47-36-30-24-18-12-6)83-101-99-81-88(70-64-58-52-46-41-35-29-23-17-11-5)79-97-95-77-86(68-62-56-50-44-39-33-27-21-15-9-3)75-93-91(73-84)102(90)108-109(103(92)94)111(105(96)98)113(107(100)101)112(106(97)99)110(108)104(93)95/h72-83,114H,7-71H2,1-6H3
InChI key： MNONHQQIWJQHAC-UHFFFAOYSA-N
SMILES： CCCCCCCCCCCCc1cc2c3cc(CCCCCCCCCCCC)cc4c5cc(CCCCCCCCCCCC)cc6c7cc(NCCCCCCCCCCC)cc8c9cc(CCCCCCCCCCCC)cc%10c%11cc(CCCCCCCCCCCC)cc%12c(c1)c2c1c(c34)c(c56)c(c78)c(c9%10)c1c%11%12
Systematic name  (3)：
  • N-ウンデシル-13,18,27,32,41-ペンタドデシルトリデカシクロ[36.4.0.02,7.06,11.08,37.09,22.010,15.016,21.020,25.023,36.024,29.030,35.034,39]ドテトラコンタン-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-ヘニコサエン-4-アミン
  • 11,20,25,34,39-ペンタドデシル-N-ウンデシルトリデカシクロ[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]ドテトラコンタ-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-ヘンイコサエン-6-アミン
  • 11,20,25,34,39-pentadodecyl-N-undecyltridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-henicosaen-6-amine
Other name (1)：
  • N-Undecyl-13,18,27,32,41-pentadodecyltridecacyclo[36.4.0.02,7.06,11.08,37.09,22.010,15.016,21.020,25.023,36.024,29.030,35.034,39]dotetracontane-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-henicosene-4-amine
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