Chem
J-GLOBAL ID：200907020747543497   Nikkaji number：J1.560.014D

1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetra(acetic acid 3β-cholesteryl) ester

1,4,7,10-テトラアザシクロドデカン-1,4,7,10-テトラ(酢酸3β-コレステリル)
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： C124H204N4O8
Molecular formula furigana： C124-H204-N4-O8
Molecular weight： 1879.016
InChI： InChI=1S/C124H204N4O8/c1-81(2)25-21-29-85(9)101-41-45-105-97-37-33-89-73-93(49-57-117(89,13)109(97)53-61-121(101,105)17)133-113(129)77-125-65-67-126(78-114(130)134-94-50-58-118(14)90(74-94)34-38-98-106-46-42-102(86(10)30-22-26-82(3)4)122(106,18)62-54-110(98)118)69-71-128(80-116(132)136-96-52-60-120(16)92(76-96)36-40-100-108-48-44-104(88(12)32-24-28-84(7)8)124(108,20)64-56-112(100)120)72-70-127(68-66-125)79-115(131)135-95-51-59-119(15)91(75-95)35-39-99-107-47-43-103(87(11)31-23-27-83(5)6)123(107,19)63-55-111(99)119/h33-36,81-88,93-112H,21-32,37-80H2,1-20H3/t85-,86-,87-,88-,93+,94+,95+,96+,97+,98+,99+,100+,101-,102-,103-,104-,105+,106+,107+,108+,109+,110+,111+,112+,117+,118+,119+,120+,121-,122-,123-,124-/m1/s1
InChI key： YPESDAKKDLPABK-MNHWEVLTSA-N
SMILES： CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CN1CCN(CC(=O)O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@H]5[C@@H]4CC=C3C2)[C@H](C)CCCC(C)C)CCN(CC(=O)O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@H]5[C@@H]4CC=C3C2)[C@H](C)CCCC(C)C)CCN(CC(=O)O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@H]5[C@@H]4CC=C3C2)[C@H](C)CCCC(C)C)CC1
Systematic name  (9)：
  • 1,4,7,10-テトラアザシクロドデカン-1,4,7,10-テトラキス(酢酸コレスタ-5-エン-3β-イル)
  • 2,2′,2′′,2′′′-(1,4,7,10-テトラアザシクロドデカン-1,4,7,10-テトライル)テトラキス(酢酸コレスタ-5-エン-3β-イル)
  • 1,4,7,10-テトラアザシクロドデカン-1,4,7,10-テトラキス(酢酸3β-コレステリル)
  • 1,4,7,10-テトラアザシクロドデカン-1,4,7,10-テトラ酢酸テトラキス(3β-コレステリル)
  • 1,4,7,10-テトラアザシクロドデカン-1,4,7,10-テトラキス酢酸テトラキス(3β-コレステリル)
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Other name (7)：
  • 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetrakis(acetic acid cholest-5-en-3β-yl) ester
  • 2,2′,2′′,2′′′-(1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetrayl)tetrakis(acetic acid cholest-5-en-3β-yl) ester
  • 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetrakis(acetic acid 3β-cholesteryl) ester
  • 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid tetrakis(3β-cholesteryl) ester
  • 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetrakisacetic acid tetrakis(3β-cholesteryl) ester
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