物質
J-GLOBAL ID：201207011977202539   日化辞番号：J3.054.391B

65,66,67,68,69,70,71,72,73,74,75,76-ドデカチアトリデカシクロ[60.2.1.12,5.16,9.114,17.118,21.122,25.130,33.134,37.138,41.146,49.150,53.154,57]ヘキサヘプタコンタ-1(64),2,4,6,8,14,16,18,20,22,24,30,32,34,36,38,40,46,48,50,52,54,56,62-テトラコサエン-10,12,26,28,42,44,58,60-オクタイン-7,8,15,16,23,24,31,32,39,40,47,48,55,56,63,64-ヘキサデカアミン

65,66,67,68,69,70,71,72,73,74,75,76-Dodecathiatridecacyclo[60.2.1.16,9.110,13.114,17.122,25.126,29.130,33.138,41.142,45.146,49.154,57.158,61]hexaheptacontane-1(64),6,8,10,12,14,16,22,24,26,28,30,32,38,40,42,44,46,48,54,56,58,60,62-tetracosene-2,4,18,20,34,36,50,52-octyne-7,8,15,16,23,24,31,32,39,40,47,48,55,56,63,64-hexadecamine
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： C64H40N16S12
分子式フリガナ： C64-H40-N16-S12
分子量： 1417.860
InChI： InChI=1S/C64H40N16S12/c65-41-25-9-1-2-10-26-42(66)50(74)58(86-26)34-19-20-36(82-34)60-52(76)44(68)28(88-60)12-5-6-14-30-46(70)54(78)62(90-30)38-23-24-40(84-38)64-56(80)48(72)32(92-64)16-8-7-15-31-47(71)55(79)63(91-31)39-22-21-37(83-39)61-53(77)45(69)29(89-61)13-4-3-11-27-43(67)51(75)59(87-27)35-18-17-33(81-35)57(85-25)49(41)73/h17-24H,65-80H2/b57-33-,58-34-,59-35-,60-36-,61-37-,62-38-,63-39-,64-40+
InChI key： MMFXSLHMSZYDDK-JDSBTQLFSA-N
SMILES： Nc1c(N)c2sc1C#CC#Cc1sc(c3ccc(s3)c3sc(C#CC#Cc4sc(c5ccc(s5)c5sc(C#CC#Cc6sc(c7ccc(s7)c7sc(C#CC#Cc8sc(c9ccc2s9)c(N)c8N)c(N)c7N)c(N)c6N)c(N)c5N)c(N)c4N)c(N)c3N)c(N)c1N
体系名 (3件)：
  • 65,66,67,68,69,70,71,72,73,74,75,76-ドデカチアトリデカシクロ[60.2.1.16,9.110,13.114,17.122,25.126,29.130,33.138,41.142,45.146,49.154,57.158,61]ヘキサヘプタコンタン-1(64),6,8,10,12,14,16,22,24,26,28,30,32,38,40,42,44,46,48,54,56,58,60,62-テトラコサエン-2,4,18,20,34,36,50,52-オクタイン-7,8,15,16,23,24,31,32,39,40,47,48,55,56,63,64-ヘキサデカアミン
  • 65,66,67,68,69,70,71,72,73,74,75,76-ドデカチアトリデカシクロ[60.2.1.12,5.16,9.114,17.118,21.122,25.130,33.134,37.138,41.146,49.150,53.154,57]ヘキサヘプタコンタ-1(64),2,4,6,8,14,16,18,20,22,24,30,32,34,36,38,40,46,48,50,52,54,56,62-テトラコサエン-10,12,26,28,42,44,58,60-オクタイン-7,8,15,16,23,24,31,32,39,40,47,48,55,56,63,64-ヘキサデカアミン
  • 65,66,67,68,69,70,71,72,73,74,75,76-dodecathiatridecacyclo[60.2.1.12,5.16,9.114,17.118,21.122,25.130,33.134,37.138,41.146,49.150,53.154,57]hexaheptaconta-1(64),2,4,6,8,14,16,18,20,22,24,30,32,34,36,38,40,46,48,50,52,54,56,62-tetracosaen-10,12,26,28,42,44,58,60-octayne-7,8,15,16,23,24,31,32,39,40,47,48,55,56,63,64-hexadecamine
その他の名称 (1件)：
  • 65,66,67,68,69,70,71,72,73,74,75,76-Dodecathiatridecacyclo[60.2.1.16,9.110,13.114,17.122,25.126,29.130,33.138,41.142,45.146,49.154,57.158,61]hexaheptacontane-1(64),6,8,10,12,14,16,22,24,26,28,30,32,38,40,42,44,46,48,54,56,58,60,62-tetracosene-2,4,18,20,34,36,50,52-octyne-7,8,15,16,23,24,31,32,39,40,47,48,55,56,63,64-hexadecamine
シソーラスmap：
シソーラスmap

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