![PER-6-[BIS-(HYDROXYETHYL)-AMINO]-6-DEOXY-BETA-CYClODEXTRIN](/api/spectrum/DUveqK7uog6/structure.png?h=300&w=458 "PER-6-[BIS-(HYDROXYETHYL)-AMINO]-6-DEOXY-BETA-CYClODEXTRIN")
| SpectraBase Compound ID | 1TI6p3xp5ao |
|---|---|
| InChI | InChI=1S/C70H133N7O42/c78-15-1-71(2-16-79)29-36-57-43(92)50(99)64(106-36)114-58-37(30-72(3-17-80)4-18-81)108-66(52(101)45(58)94)116-60-39(32-74(7-21-84)8-22-85)110-68(54(103)47(60)96)118-62-41(34-76(11-25-88)12-26-89)112-70(56(105)49(62)98)119-63-42(35-77(13-27-90)14-28-91)111-69(55(104)48(63)97)117-61-40(33-75(9-23-86)10-24-87)109-67(53(102)46(61)95)115-59-38(31-73(5-19-82)6-20-83)107-65(113-57)51(100)44(59)93/h36-70,78-105H,1-35H2/t36-,37-,38-,39-,40-,41-,42+,43-,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+/m0/s1 |
| InChIKey | FQEXDQWLUONQNZ-KDBUXAJMSA-N |
| Mol Weight | 1744.8 g/mol |
| Molecular Formula | C70H133N7O42 |
| Exact Mass | 1743.848661 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DUveqK7uog6 |
|---|---|
| Name | PER-6-[BIS-(HYDROXYETHYL)-AMINO]-6-DEOXY-BETA-CYClODEXTRIN |
| Compound Number | 5B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C70H133N7O42 |
| InChI | InChI=1S/C70H133N7O42/c78-15-1-71(2-16-79)29-36-57-43(92)50(99)64(106-36)114-58-37(30-72(3-17-80)4-18-81)108-66(52(101)45(58)94)116-60-39(32-74(7-21-84)8-22-85)110-68(54(103)47(60)96)118-62-41(34-76(11-25-88)12-26-89)112-70(56(105)49(62)98)119-63-42(35-77(13-27-90)14-28-91)111-69(55(104)48(63)97)117-61-40(33-75(9-23-86)10-24-87)109-67(53(102)46(61)95)115-59-38(31-73(5-19-82)6-20-83)107-65(113-57)51(100)44(59)93/h36-70,78-105H,1-35H2/t36-,37-,38-,39-,40-,41-,42+,43-,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+/m0/s1 |
| InChIKey | FQEXDQWLUONQNZ-KDBUXAJMSA-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 | 1744.848 g/mol |
| Solvent | D2O |
| Source File Reference | UWSP782 |