物質
J-GLOBAL ID：200907040445519059   日化辞番号：J1.499.449A

5,11,17,23,29,35,41,47-オクタ-tert-ブチル-49,50,51,52,53,54,55,56-オクタキス(3-メチルオキセタン-3-イルメトキシ)ノナシクロ[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]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

5,11,17,23,29,35,41,47-Octa-tert-butyl-49,50,51,52,53,54,55,56-octakis(3-methyloxetane-3-ylmethoxy)nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]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
物質タイプ：
物質タイプ
物質タイプは以下の３種類に大別されています。
構造情報あり：構造が明確な物質
構造不確定等：構造が不明または未定の物質
混合物等：混合物、ラセミ化合物や、相対立体配置をもつ化合物等
構造情報あり
分子式： C128H176O16
分子式フリガナ： C128-H176-O16
分子量： 1970.800
InChI： InChI=1S/C128H176O16/c1-113(2,3)97-41-81-33-83-43-98(114(4,5)6)45-85(106(83)138-74-122(26)59-130-60-122)35-87-47-100(116(10,11)12)49-89(108(87)140-76-124(28)63-132-64-124)37-91-51-102(118(16,17)18)53-93(110(91)142-78-126(30)67-134-68-126)39-95-55-104(120(22,23)24)56-96(112(95)144-80-128(32)71-136-72-128)40-94-54-103(119(19,20)21)52-92(111(94)143-79-127(31)69-135-70-127)38-90-50-101(117(13,14)15)48-88(109(90)141-77-125(29)65-133-66-125)36-86-46-99(115(7,8)9)44-84(107(86)139-75-123(27)61-131-62-123)34-82(42-97)105(81)137-73-121(25)57-129-58-121/h41-56H,33-40,57-80H2,1-32H3
InChI key： SRWJBJSBZNVLDT-UHFFFAOYSA-N
SMILES： CC(C)(C)c1cc2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc6cc(cc(Cc7cc(cc(Cc8cc(cc(Cc9cc(cc(Cc(c1)c2OCC1(C)COC1)c9OCC1(C)COC1)C(C)(C)C)c8OCC1(C)COC1)C(C)(C)C)c7OCC1(C)COC1)C(C)(C)C)c6OCC1(C)COC1)C(C)(C)C)c5OCC1(C)COC1)C(C)(C)C)c4OCC1(C)COC1)C(C)(C)C)c3OCC1(C)COC1)C(C)(C)C
体系名 (4件)：
  • 5,11,17,23,29,35,41,47-オクタ-tert-ブチル-49,50,51,52,53,54,55,56-オクタキス(3-メチルオキセタン-3-イルメトキシ)ノナシクロ[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]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
  • 5,11,17,23,29,35,41,47-オクタ(tert-ブチル)-49,50,51,52,53,54,55,56-オクタキス(3-メチルオキセタン-3-イルメトキシ)ノナシクロ[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]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
  • 3-メチル-3-[({5,11,17,23,29,35,41,47-オクタ-tert-ブチル-50,51,52,53,54,55,56-ヘプタキス[(3-メチルオキセタン-3-イル)メトキシ]ノナシクロ[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]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-49-イル}オキシ)メチル]オキセタン
  • 3-methyl-3-[({5,11,17,23,29,35,41,47-octa-tert-butyl-50,51,52,53,54,55,56-heptakis[(3-methyloxetan-3-yl)methoxy]nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]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-tetracosaen-49-yl}oxy)methyl]oxetane
その他の名称 (2件)：
  • 5,11,17,23,29,35,41,47-Octa(tert-butyl)-49,50,51,52,53,54,55,56-octakis(3-methyloxetane-3-ylmethoxy)nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]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
  • 5,11,17,23,29,35,41,47-Octa-tert-butyl-49,50,51,52,53,54,55,56-octakis(3-methyloxetane-3-ylmethoxy)nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]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
シソーラスmap：
シソーラスmap

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