Chem
J-GLOBAL ID：200907071405390889   Nikkaji number：J2.593.679E

1,3a,6,7,10-Pentakis(carboxymethyl)-1,3a,6,7,10,10b-hexahydro-1,1′,10,10′-(1,1,2,2-ethenetetrayl)-1′′,6′,7′,10′′-(1,1,2,2-ethenetetrayl)-6,6′′,7,7′′-(1,1,2,2-ethenetetrayl)-4,3,3′,4′,3′′,4′′-(1,2,3,4,5,6-benzenehexayl)-5,5′′:8,8′′:8′,9′′:9,9′-tetrakiscyclo-2,2′:5′,2′′-terfluoranthene-10b-ide

1,3a,6,7,10-ペンタキス(カルボキシメチル)-1,3a,6,7,10,10b-ヘキサヒドロ-1,1′,10,10′-(1,1,2,2-エテンテトライル)-1′′,6′,7′,10′′-(1,1,2,2-エテンテトライル)-6,6′′,7,7′′-(1,1,2,2-エテンテトライル)-4,3,3′,4′,3′′,4′′-(1,2,3,4,5,6-ベンゼンヘキサイル)-5,5′′:8,8′′:8′,9′′:9,9′-テトラキスシクロ-2,2′:5′,2′′-テルフルオランテン-10b-イド
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： C69[C-]H15O10
Molecular formula furigana： C70-H15-O10
Molecular weight： 1015.881
InChI： InChI=1S/C70H15O10/c71-6(72)1-66-51-41-31-21-16-11-12-14-15-13(11)18-25-23(16)33(31)43-45-35(25)37-27(18)29-20(15)30-28-19(14)26-24-17(12)22(21)32-34(24)44-46-36(26)38(28)48-50-40(30)39(29)49-47(37)57-55(45)67(53(43)51,2-7(73)74)62-61(66)63-65-64(62)69(57,4-9(77)78)59(49)60(50)70(65,5-10(79)80)58(48)56(46)68(63,3-8(75)76)54(44)52(66)42(32)41/h1-5H2,(H,71,72)(H,73,74)(H,75,76)(H,77,78)(H,79,80)/q-1
InChI key： CDOAHKRGPPBFMI-UHFFFAOYSA-N
SMILES： OC(=O)CC12C3=C4[C-]5C6=C3C3(c7c2c2c8c1c1C4(CC(=O)O)c4c9c%10c%11c(c%12c%13c%14c(c3c3c7c7c2c2c%15c8c8c1c4c1c%10c4c%10c%11c%13c%11c%13c%14c3c3c7c2c2c7c%15c8c1c4c7c(c2c%133)c%10%11)C6%12CC(=O)O)C59CC(=O)O)CC(=O)O
Systematic name  (3)：
  • 1,3a,6,7,10-ペンタキス(カルボキシメチル)-1,3a,6,7,10,10b-ヘキサヒドロ-1,1′,10,10′-(1,1,2,2-エテンテトライル)-1′′,6′,7′,10′′-(1,1,2,2-エテンテトライル)-6,6′′,7,7′′-(1,1,2,2-エテンテトライル)-4,3,3′,4′,3′′,4′′-(1,2,3,4,5,6-ベンゼンヘキサイル)-5,5′′:8,8′′:8′,9′′:9,9′-テトラキスシクロ-2,2′:5′,2′′-テルフルオランテン-10b-イド
  • ペンタキス(カルボキシメチル)ヘントリアコンタシクロ[13.5.38.24,7.02,23.03,29.05,30.06,43.08,44.09,17.010,46.011,16.012,48.013,50.014,56.019,58.021,57.022,54.024,28.025,53.026,35.027,32.031,42.033,41.034,38.036,52.037,49.039,47.040,45.051,55.018,59.020,60]ヘキサコンタ-1(20),2,4(60),5,7(59),8,10,12,14(56),15,17,19(58),21(57),22,24(28),25(53),27(32),29,31(42),34(38),36,40,43,45,47,50,54-ヘプタコサエン-35-イド
  • pentakis(carboxymethyl)hentriacontacyclo[13.5.38.24,7.02,23.03,29.05,30.06,43.08,44.09,17.010,46.011,16.012,48.013,50.014,56.019,58.021,57.022,54.024,28.025,53.026,35.027,32.031,42.033,41.034,38.036,52.037,49.039,47.040,45.051,55.018,59.020,60]hexaconta-1(20),2,4(60),5,7(59),8,10,12,14(56),15,17,19(58),21(57),22,24(28),25(53),27(32),29,31(42),34(38),36,40,43,45,47,50,54-heptacosaen-35-ide
Other name (1)：
  • 1,3a,6,7,10-Pentakis(carboxymethyl)-1,3a,6,7,10,10b-hexahydro-1,1′,10,10′-(1,1,2,2-ethenetetrayl)-1′′,6′,7′,10′′-(1,1,2,2-ethenetetrayl)-6,6′′,7,7′′-(1,1,2,2-ethenetetrayl)-4,3,3′,4′,3′′,4′′-(1,2,3,4,5,6-benzenehexayl)-5,5′′:8,8′′:8′,9′′:9,9′-tetrakiscyclo-2,2′:5′,2′′-terfluoranthene-10b-ide
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