Chem
J-GLOBAL ID：200907078344134382   Nikkaji number：J1.465.850E

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-carboxylic acid methyl ester

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-カルボン酸メチル
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： C104H140O2
Molecular formula furigana： C104-H140-O2
Molecular weight： 1422.262
InChI： InChI=1S/C104H140O2/c1-7-12-17-22-27-32-37-42-47-52-57-74-62-80-82-64-75(58-53-48-43-38-33-28-23-18-13-8-2)66-84-86-68-77(60-55-50-45-40-35-30-25-20-15-10-4)70-88-90-72-79(104(105)106-6)73-91-89-71-78(61-56-51-46-41-36-31-26-21-16-11-5)69-87-85-67-76(59-54-49-44-39-34-29-24-19-14-9-3)65-83-81(63-74)92(80)98-99(93(82)84)101(95(86)88)103(97(90)91)102(96(87)89)100(98)94(83)85/h62-73H,7-61H2,1-6H3
InChI key： IOCPOUROWMBPGR-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)C(=O)OC
Systematic name  (3)：
  • 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-カルボン酸メチル
  • メチル 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-カルボキシラート
  • methyl 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-henicosaene-6-carboxylate
Other name (1)：
  • 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-carboxylic acid methyl ester
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