3,11,19,27-[11,23,35,47-テトラカルボキシ-2,8,14,20,26,32,38,44-オクタオキサノナシクロ[43.3.1.1^3,7.1^9,13.1^15,19.1^21,25.1^27,31.1^33,37.1^39,43]ヘキサペンタコンタ-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-テトラコサエン-5,17,29,41-テトライル]-2,4,10,12,18,20,26,28-オクタオキサノナシクロ[27.3.1.1^5,9.1^6,32.1^8,14.1^13,17.1^16,22.1^21,25.1^24,30]テトラコンタン-1(33),5(40),6,8,13(38),14,15,21(36),22,24,29,31-ドデカエン-34,35,37,39-テトラキスプロパン酸

3,11,19,27-[11,23,35,47-Tetracarboxy-2,8,14,20,26,32,38,44-octaoxanonacyclo[43.3.1.1^3,7.1^9,13.1^15,19.1^21,25.1^27,31.1^33,37.1^39,43]hexapentaconta-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosene-5,17,29,41-tetryl]-2,4,10,12,18,20,26,28-octaoxanonacyclo[27.3.1.1^5,9.1^6,32.1^8,14.1^13,17.1^16,22.1^21,25.1^24,30]tetracontane-1(33),5(40),6,8,13(38),14,15,21(36),22,24,29,31-dodecene-34,35,37,39-tetrakispropanoic acid

構造情報あり
分子式： C₉₆H₆₄O₃₂
分子式フリガナ： C96-H64-O32
分子量： 1729.536

InChI： InChI=1S/C96H64O32/c97-85(98)5-1-65-69-33-71-66(2-6-86(99)100)73-35-75-68(4-8-88(103)104)76-36-74-67(3-7-87(101)102)72-34-70(65)78-38-80(72)124-95-47-20-60-31-62(22-47)118-54-14-44(92(111)112)16-56(28-54)120-64-24-48-23-63(32-64)119-55-15-43(91(109)110)13-53(27-55)117-61-21-46-19-59(30-61)115-51-11-41(89(105)106)9-49(25-51)113-57-17-45(18-58(29-57)114-50-10-42(90(107)108)12-52(26-50)116-60)93(122-78)121-77(69)37-79(71)123-94(46)125-81(73)39-83(75)127-96(48)128-84(76)40-82(74)126-95/h9-35,37-40,65-68,82,93-96H,1-8H2,(H,97,98)(H,99,100)(H,101,102)(H,103,104)(H,105,106)(H,107,108)(H,109,110)(H,111,112)

InChI key： ADHHTQXXAJESBN-UHFFFAOYSA-N

SMILES： OC(=O)CCC1C2=C=C3C(CCC(=O)O)c4cc5C(CCC(=O)O)c6cc7C(CCC(=O)O)c8cc1c1OC9OC2C=C3OC2Oc4cc5OC3Oc6cc7OC(Oc8c1)c1cc4Oc5cc(Oc6cc(Oc7cc(Oc8cc(Oc%10cc(Oc%11cc(Oc%12cc(Oc(c4)c1)cc(c%12)C(=O)O)cc3c%11)cc(c%10)C(=O)O)cc2c8)cc(c7)C(=O)O)cc9c6)cc(c5)C(=O)O

体系名 (3件)：

3,11,19,27-[11,23,35,47-テトラカルボキシ-2,8,14,20,26,32,38,44-オクタオキサノナシクロ[43.3.1.1^3,7.1^9,13.1^15,19.1^21,25.1^27,31.1^33,37.1^39,43]ヘキサペンタコンタ-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-テトラコサエン-5,17,29,41-テトライル]-2,4,10,12,18,20,26,28-オクタオキサノナシクロ[27.3.1.1^5,9.1^6,32.1^8,14.1^13,17.1^16,22.1^21,25.1^24,30]テトラコンタン-1(33),5(40),6,8,13(38),14,15,21(36),22,24,29,31-ドデカエン-34,35,37,39-テトラキスプロパン酸
17,23,90,94-テトラキス(2-カルボキシエチル)-2,4,10,12,29,36,42,48,54,60,66,73,74,76,82,89-ヘキサデカオキサヘンイコサシクロ[13.11.47.7^33,69.3^8,16.1^5,9.1^6,26.1^18,22.1^19,72.1^21,30.1^31,35.1^37,41.1^43,47.1^49,53.1^55,59.1^61,65.1^67,71.0^3,45.0^11,57.0^24,28.1^77,81.0^13,93]ヘキサノナコンタ-1(27),5(95),6,7,13(93),14,16(92),18,20,22(91),24(28),25,31(88),32,34,37,39,41(87),43,45,47(86),49,51,53(85),55,57,59(84),61,63,65(83),67,69,71(75),77,79,81(96)-ヘキサトリアコンタエン-39,51,63,79-テトラカルボン酸
17,23,90,94-tetrakis(2-carboxyethyl)-2,4,10,12,29,36,42,48,54,60,66,73,74,76,82,89-hexadecaoxahenicosacyclo[13.11.47.7^33,69.3^8,16.1^5,9.1^6,26.1^18,22.1^19,72.1^21,30.1^31,35.1^37,41.1^43,47.1^49,53.1^55,59.1^61,65.1^67,71.0^3,45.0^11,57.0^24,28.1^77,81.0^13,93]hexanonaconta-1(27),5(95),6,7,13(93),14,16(92),18,20,22(91),24(28),25,31(88),32,34,37,39,41(87),43,45,47(86),49,51,53(85),55,57,59(84),61,63,65(83),67,69,71(75),77,79,81(96)-hexatriacontaene-39,51,63,79-tetracarboxylic acid

その他の名称 (1件)：

3,11,19,27-[11,23,35,47-Tetracarboxy-2,8,14,20,26,32,38,44-octaoxanonacyclo[43.3.1.1^3,7.1^9,13.1^15,19.1^21,25.1^27,31.1^33,37.1^39,43]hexapentaconta-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosene-5,17,29,41-tetryl]-2,4,10,12,18,20,26,28-octaoxanonacyclo[27.3.1.1^5,9.1^6,32.1^8,14.1^13,17.1^16,22.1^21,25.1^24,30]tetracontane-1(33),5(40),6,8,13(38),14,15,21(36),22,24,29,31-dodecene-34,35,37,39-tetrakispropanoic acid

シソーラスmap：

シソーラスmap

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