Chem
J-GLOBAL ID：200907057508279568   Nikkaji number：J1.465.853J

18,27,32,41-Tetradodecyltridecacyclo[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-dicarboxylic acid dimethyl ester

18,27,32,41-テトラ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-4,13-ジカルボン酸ジメチル
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： C94H118O4
Molecular formula furigana： C94-H118-O4
Molecular weight： 1311.974
InChI： InChI=1S/C94H118O4/c1-7-11-15-19-23-27-31-35-39-43-47-63-51-69-70-52-64(48-44-40-36-32-28-24-20-16-12-8-2)54-72-74-56-66(50-46-42-38-34-30-26-22-18-14-10-4)58-76-78-60-68(94(96)98-6)62-80-79-61-67(93(95)97-5)59-77-75-57-65(49-45-41-37-33-29-25-21-17-13-9-3)55-73-71(53-63)81(69)87-88(82(70)72)90(84(74)76)92(86(78)80)91(85(77)79)89(87)83(73)75/h51-62H,7-50H2,1-6H3
InChI key： LQYSETIYCZTMBB-UHFFFAOYSA-N
SMILES： CCCCCCCCCCCCc1cc2c3cc(CCCCCCCCCCCC)cc4c5cc(CCCCCCCCCCCC)cc6c7cc(cc8c9cc(cc%10c%11cc(CCCCCCCCCCCC)cc%12c(c1)c2c1c(c34)c(c56)c(c78)c(c9%10)c1c%11%12)C(=O)OC)C(=O)OC
Systematic name  (3)：
  • 18,27,32,41-テトラ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-4,13-ジカルボン酸ジメチル
  • 6,11-ジメチル 20,25,34,39-テトラ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(41),5,7,9,11,13(18),14,16,19,21,23,25,27(32),28,30,33,35,37,39-ヘンイコサエン-6,11-ジカルボキシラート
  • 6,11-dimethyl 20,25,34,39-tetradodecyltridecacyclo[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(41),5,7,9,11,13(18),14,16,19,21,23,25,27(32),28,30,33,35,37,39-henicosaene-6,11-dicarboxylate
Other name (1)：
  • 18,27,32,41-Tetradodecyltridecacyclo[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-dicarboxylic acid dimethyl ester
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