![PER-6-[(N,N,N'-TRIMETHYL-(2-AMINOETHYL)-AMINO]-6-DEOXY-BETA-CYClODEXTRIN](/api/spectrum/BWusi3YhzaP/structure.png?h=300&w=458 "PER-6-[(N,N,N'-TRIMETHYL-(2-AMINOETHYL)-AMINO]-6-DEOXY-BETA-CYClODEXTRIN")
| SpectraBase Compound ID | 9fl4KcQ6dGu |
|---|---|
| InChI | InChI=1S/C77H154N14O28/c1-78(2)22-29-85(15)36-43-64-50(92)57(99)71(106-43)114-65-44(37-86(16)30-23-79(3)4)108-73(59(101)52(65)94)116-67-46(39-88(18)32-25-81(7)8)110-75(61(103)54(67)96)118-69-48(41-90(20)34-27-83(11)12)112-77(63(105)56(69)98)119-70-49(42-91(21)35-28-84(13)14)111-76(62(104)55(70)97)117-68-47(40-89(19)33-26-82(9)10)109-74(60(102)53(68)95)115-66-45(38-87(17)31-24-80(5)6)107-72(113-64)58(100)51(66)93/h43-77,92-105H,22-42H2,1-21H3/t43-,44-,45-,46-,47-,48+,49+,50-,51-,52-,53-,54-,55+,56+,57-,58-,59-,60-,61-,62+,63+,64-,65-,66-,67-,68-,69+,70+,71+,72+,73+,74+,75+,76-,77-/m0/s1 |
| InChIKey | ATRCGCYHWUQPGS-KLEYIQMPSA-N |
| Mol Weight | 1724.1 g/mol |
| Molecular Formula | C77H154N14O28 |
| Exact Mass | 1723.1057 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BWusi3YhzaP |
|---|---|
| Name | PER-6-[(N,N,N'-TRIMETHYL-(2-AMINOETHYL)-AMINO]-6-DEOXY-BETA-CYClODEXTRIN |
| Compound Number | 8B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C77H154N14O28 |
| InChI | InChI=1S/C77H154N14O28/c1-78(2)22-29-85(15)36-43-64-50(92)57(99)71(106-43)114-65-44(37-86(16)30-23-79(3)4)108-73(59(101)52(65)94)116-67-46(39-88(18)32-25-81(7)8)110-75(61(103)54(67)96)118-69-48(41-90(20)34-27-83(11)12)112-77(63(105)56(69)98)119-70-49(42-91(21)35-28-84(13)14)111-76(62(104)55(70)97)117-68-47(40-89(19)33-26-82(9)10)109-74(60(102)53(68)95)115-66-45(38-87(17)31-24-80(5)6)107-72(113-64)58(100)51(66)93/h43-77,92-105H,22-42H2,1-21H3/t43-,44-,45-,46-,47-,48+,49+,50-,51-,52-,53-,54-,55+,56+,57-,58-,59-,60-,61-,62+,63+,64-,65-,66-,67-,68-,69+,70+,71+,72+,73+,74+,75+,76-,77-/m0/s1 |
| InChIKey | ATRCGCYHWUQPGS-KLEYIQMPSA-N |
| Literature Reference Author | D.VIZITIU,C.S.WALKINSHAW,B.I.GORIN,G.R.J.THATCHER |
| Literature Reference Citation | J.ORG.CHEM.,62,8760(1997) |
| Literature Reference DOI | 10.1021/jo9711549 |
| Molecular Weight | 1724.147 g/mol |
| Solvent | D2O |
| Source File Reference | UWSP785 |