Chem
J-GLOBAL ID：200907053535182910   Nikkaji number：J1.465.848C

4,13,18,27,32-Pentadodecyl-41-piperidinotridecacyclo[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

4,13,18,27,32-ペンタドデシル-41-ピペリジノトリデカシクロ[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
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： C107H147N
Molecular formula furigana： C107-H147-N
Molecular weight： 1447.360
InChI： InChI=1S/C107H147N/c1-6-11-16-21-26-31-36-41-46-52-59-78-66-84-86-68-79(60-53-47-42-37-32-27-22-17-12-7-2)70-88-90-72-81(62-55-49-44-39-34-29-24-19-14-9-4)74-92-94-76-83(108-64-57-51-58-65-108)77-95-93-75-82(63-56-50-45-40-35-30-25-20-15-10-5)73-91-89-71-80(61-54-48-43-38-33-28-23-18-13-8-3)69-87-85(67-78)96(84)102-103(97(86)88)105(99(90)92)107(101(94)95)106(100(91)93)104(102)98(87)89/h66-77H,6-65H2,1-5H3
InChI key： HBBVLBZYDRECNL-UHFFFAOYSA-N
SMILES： CCCCCCCCCCCCc1cc2c3cc(CCCCCCCCCCCC)cc4c5cc(CCCCCCCCCCCC)cc6c7cc(cc8c9cc(CCCCCCCCCCCC)cc%10c%11cc(CCCCCCCCCCCC)cc%12c(c1)c2c1c(c34)c(c56)c(c78)c(c9%10)c1c%11%12)N1CCCCC1
Systematic name  (3)：
  • 4,13,18,27,32-ペンタドデシル-41-ピペリジノトリデカシクロ[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
  • 1-{11,20,25,34,39-ペンタド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-イル}ピペリジン
  • 1-{11,20,25,34,39-pentadodecyltridecacyclo[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-yl}piperidine
Other name (1)：
  • 4,13,18,27,32-Pentadodecyl-41-piperidinotridecacyclo[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
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