Chem
J-GLOBAL ID:200907024541082693   Nikkaji number:J2.252.093H

5,11,17,23-Tetrakis[3-(heptadecafluorooctyl)propyl]-25,26,27,28-tetrakis(11-amino-3,6,9-trioxaundecane-1-ylcarbamoylmethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene

5,11,17,23-テトラキス[3-(ヘプタデカフルオロオクチル)プロピル]-25,26,27,28-テトラキス(11-アミノ-3,6,9-トリオキサウンデカン-1-イルカルバモイルメトキシ)ペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン
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: C112H124F68N8O20
Molecular formula furigana: C112-H124-F68-N8-O20
Molecular weight: 3194.151
InChI: InChI=1S/C112H124F68N8O20/c113-81(114,85(121,122)89(129,130)93(137,138)97(145,146)101(153,154)105(161,162)109(169,170)171)9-1-5-61-45-65-53-67-47-62(6-2-10-82(115,116)86(123,124)90(131,132)94(139,140)98(147,148)102(155,156)106(163,164)110(172,173)174)49-69(78(67)206-58-74(190)186-18-26-198-34-42-202-38-30-194-22-14-182)55-71-51-64(8-4-12-84(119,120)88(127,128)92(135,136)96(143,144)100(151,152)104(159,160)108(167,168)112(178,179)180)52-72(80(71)208-60-76(192)188-20-28-200-36-44-204-40-32-196-24-16-184)56-70-50-63(7-3-11-83(117,118)87(125,126)91(133,134)95(141,142)99(149,150)103(157,158)107(165,166)111(175,176)177)48-68(79(70)207-59-75(191)187-19-27-199-35-43-203-39-31-195-23-15-183)54-66(46-61)77(65)205-57-73(189)185-17-25-197-33-41-201-37-29-193-21-13-181/h45-52H,1-44,53-60,181-184H2,(H,185,189)(H,186,190)(H,187,191)(H,188,192)
InChI key: XWHOJOVDXPNFMZ-UHFFFAOYSA-N
SMILES: NCCOCCOCCOCCNC(=O)COc1c2Cc3cc(CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc(Cc4cc(CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc(Cc5cc(CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc(Cc1cc(CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2)c5OCC(=O)NCCOCCOCCOCCN)c4OCC(=O)NCCOCCOCCOCCN)c3OCC(=O)NCCOCCOCCOCCN
Systematic name  (3):
  • 5,11,17,23-テトラキス[3-(ヘプタデカフルオロオクチル)プロピル]-25,26,27,28-テトラキス(11-アミノ-3,6,9-トリオキサウンデカン-1-イルカルバモイルメトキシ)ペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン
  • N-(2-{2-[2-(2-アミノエトキシ)エトキシ]エトキシ}エチル)-2-{[26,27,28-トリス({[(2-{2-[2-(2-アミノエトキシ)エトキシ]エトキシ}エチル)カルバモイル]メトキシ})-5,11,17,23-テトラキス(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-ヘプタデカフルオロウンデシル)ペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン-25-イル]オキシ}アセトアミド
  • N-(2-{2-[2-(2-aminoethoxy)ethoxy]ethoxy}ethyl)-2-{[26,27,28-tris({[(2-{2-[2-(2-aminoethoxy)ethoxy]ethoxy}ethyl)carbamoyl]methoxy})-5,11,17,23-tetrakis(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaen-25-yl]oxy}acetamide
Other name (1):
  • 5,11,17,23-Tetrakis[3-(heptadecafluorooctyl)propyl]-25,26,27,28-tetrakis(11-amino-3,6,9-trioxaundecane-1-ylcarbamoylmethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene
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