物質
J-GLOBAL ID:201807019737404245   日化辞番号:J3.675.598I

14,19,29,34-(3,8,33,38-テトラ(tert-ブチル)-13,28-(5,5′-ジ(tert-ブチル)-ビフェニル-3,3′-ジイル)-1,5:6,10:15,11:20,16:25,21:30,26:31,35:36,40-オクタメテノテトラコンタン-1,3,6,8,12,14,17,19,22,24,27,29,31,33,36,38-ヘキサデカエン-1,18,23,40-テトライル)-4,9,39,44-テトラ(tert-ブチル)-24,49-シクロ(ウンデカシクロ[45.3.1.12,6.17,11.112,16.117,21.122,26.127,31.132,36.137,41.142,46]ヘキサコンタン-1(51),2,4,6(60),7,9,11(59),12(58),13,15,17,19,21(57),22(56),23,25,27,29,31(55),32(54),33,35,37,39,41(53),42,44,46(52),47,49-トリアコンタエン)

14,19,29,34-(3,8,33,38-Tetra(tert-butyl)-13,28-(5,5′-di(tert-butyl)-biphenyl-3,3′-diyl)-1,5:6,10:15,11:20,16:25,21:30,26:31,35:36,40-octamethenotetracontane-1,3,6,8,12,14,17,19,22,24,27,29,31,33,36,38-hexadecaene-1,18,23,40-tetrayl)-4,9,39,44-tetra(tert-butyl)-24,49-cyclo(undecacyclo[45.3.1.12,6.17,11.112,16.117,21.122,26.127,31.132,36.137,41.142,46]hexacontane-1(51),2,4,6(60),7,9,11(59),12(58),13,15,17,19,21(57),22(56),23,25,27,29,31(55),32(54),33,35,37,39,41(53),42,44,46(52),47,49-triacontaene)
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: C160H150
分子式フリガナ: C160-H150
分子量: 2072.960
InChI: InChI=1S/C160H150/c1-151(2,3)141-71-121-61-131(81-141)132-62-122(72-142(82-132)152(4,5)6)113-48-107-49-114(57-113)124-64-135(85-144(74-124)154(10,11)12)136-66-126(76-146(86-136)156(16,17)18)117-52-109-53-118(59-117)128-68-139(89-148(78-128)158(22,23)24)140-70-130(80-150(90-140)160(28,29)30)120-55-110-54-119(60-120)129-69-138(88-149(79-129)159(25,26)27)137-67-127(77-147(87-137)157(19,20)21)116-51-108-50-115(58-116)125-65-134(84-145(75-125)155(13,14)15)133-63-123(73-143(83-133)153(7,8)9)112-47-106(46-111(121)56-112)101-36-91-31-92(37-101)94-33-96(41-103(108)39-94)98-35-100(45-105(110)43-98)99-34-97(42-104(109)44-99)95-32-93(91)38-102(107)40-95/h31-90H,1-30H3
InChI key: ABXRMXJLWTZQAW-UHFFFAOYSA-N
SMILES: CC(C)(C)c1cc2cc(c1)c1cc3cc(c1)c1cc4cc(c1)c1cc5cc(c1)c1cc6cc(c1)c1cc7cc(c1)c1cc(cc4c1)c1cc(cc(c1)c1cc(cc(c1)c1cc(cc(c1)c1cc(cc7c1)c1cc(cc(c1)c1cc(cc(c1)c1cc(cc6c1)c1cc(cc(c1)c1cc(cc(c1)c1cc(cc5c1)c1cc(cc(c1)c1cc(cc3c1)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)c1cc(cc2c1)C(C)(C)C
体系名 (3件):
  • 14,19,29,34-(3,8,33,38-テトラ(tert-ブチル)-13,28-(5,5′-ジ(tert-ブチル)-ビフェニル-3,3′-ジイル)-1,5:6,10:15,11:20,16:25,21:30,26:31,35:36,40-オクタメテノテトラコンタン-1,3,6,8,12,14,17,19,22,24,27,29,31,33,36,38-ヘキサデカエン-1,18,23,40-テトライル)-4,9,39,44-テトラ(tert-ブチル)-24,49-シクロ(ウンデカシクロ[45.3.1.12,6.17,11.112,16.117,21.122,26.127,31.132,36.137,41.142,46]ヘキサコンタン-1(51),2,4,6(60),7,9,11(59),12(58),13,15,17,19,21(57),22(56),23,25,27,29,31(55),32(54),33,35,37,39,41(53),42,44,46(52),47,49-トリアコンタエン)
  • 34,39,48,53,63,68,78,83,93,98-デカ-tert-ブチルヘキサコサシクロ[27.14.57.12,6.17,11.112,16.117,21.122,26.127,31.132,36.137,41.142,45.146,50.151,55.156,60.161,65.166,70.171,75.176,80.181,85.186,90.191,95.196,100.04,24.09,58.014,73.019,88]120nea-1(43),2,4,6(120),7(119),8,10,12,14,16(118),17(117),18,20,22,24,26(116),27,29,31(115),32,34,36(114),37,39,41(113),42(112),44,46,48,50(111),51,53,55(110),56(109),57,59,61(108),62,64,66(107),67,69,71,73,75(106),76,78,80(105),81,83,85(104),86(103),87,89,91,93,95(102),96,98,100-ヘキサコンタエン
  • 34,39,48,53,63,68,78,83,93,98-deca-tert-butylhexacosacyclo[27.14.57.12,6.17,11.112,16.117,21.122,26.127,31.132,36.137,41.142,45.146,50.151,55.156,60.161,65.166,70.171,75.176,80.181,85.186,90.191,95.196,100.04,24.09,58.014,73.019,88]120nea-1(43),2,4,6(120),7(119),8,10,12,14,16(118),17(117),18,20,22,24,26(116),27,29,31(115),32,34,36(114),37,39,41(113),42(112),44,46,48,50(111),51,53,55(110),56(109),57,59,61(108),62,64,66(107),67,69,71,73,75(106),76,78,80(105),81,83,85(104),86(103),87,89,91,93,95(102),96,98,100-hexacontaene
その他の名称 (1件):
  • 14,19,29,34-(3,8,33,38-Tetra(tert-butyl)-13,28-(5,5′-di(tert-butyl)-biphenyl-3,3′-diyl)-1,5:6,10:15,11:20,16:25,21:30,26:31,35:36,40-octamethenotetracontane-1,3,6,8,12,14,17,19,22,24,27,29,31,33,36,38-hexadecaene-1,18,23,40-tetrayl)-4,9,39,44-tetra(tert-butyl)-24,49-cyclo(undecacyclo[45.3.1.12,6.17,11.112,16.117,21.122,26.127,31.132,36.137,41.142,46]hexacontane-1(51),2,4,6(60),7,9,11(59),12(58),13,15,17,19,21(57),22(56),23,25,27,29,31(55),32(54),33,35,37,39,41(53),42,44,46(52),47,49-triacontaene)
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