| SpectraBase Compound ID | LQ1vdORPpz8 |
|---|---|
| InChI | InChI=1S/C72H136N8O40/c1-73(9-17-81)25-33-57-41(89)49(97)65(105-33)114-58-34(26-74(2)10-18-82)107-67(51(99)43(58)91)116-60-36(28-76(4)12-20-84)109-69(53(101)45(60)93)118-62-38(30-78(6)14-22-86)111-71(55(103)47(62)95)120-64-40(32-80(8)16-24-88)112-72(56(104)48(64)96)119-63-39(31-79(7)15-23-87)110-70(54(102)46(63)94)117-61-37(29-77(5)13-21-85)108-68(52(100)44(61)92)115-59-35(27-75(3)11-19-83)106-66(113-57)50(98)42(59)90/h33-72,81-104H,9-32H2,1-8H3/t33-,34-,35-,36-,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+,71+,72-/m0/s1 |
| InChIKey | PRXUYGHXHQTINP-ZIGOTAGZSA-N |
| Mol Weight | 1753.9 g/mol |
| Molecular Formula | C72H136N8O40 |
| Exact Mass | 1752.885381 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L3id3hgZkwZ |
|---|---|
| Name | PER-6-(N-METHYL-N-(2-HYDROXYETHYL)-AMINO)-6-DEOXY-GAMMA-CYClODEXTRIN |
| Compound Number | 3G |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C72H136N8O40 |
| InChI | InChI=1S/C72H136N8O40/c1-73(9-17-81)25-33-57-41(89)49(97)65(105-33)114-58-34(26-74(2)10-18-82)107-67(51(99)43(58)91)116-60-36(28-76(4)12-20-84)109-69(53(101)45(60)93)118-62-38(30-78(6)14-22-86)111-71(55(103)47(62)95)120-64-40(32-80(8)16-24-88)112-72(56(104)48(64)96)119-63-39(31-79(7)15-23-87)110-70(54(102)46(63)94)117-61-37(29-77(5)13-21-85)108-68(52(100)44(61)92)115-59-35(27-75(3)11-19-83)106-66(113-57)50(98)42(59)90/h33-72,81-104H,9-32H2,1-8H3/t33-,34-,35-,36-,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+,71+,72-/m0/s1 |
| InChIKey | PRXUYGHXHQTINP-ZIGOTAGZSA-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 | 1753.901 g/mol |
| Solvent | D2O |
| Source File Reference | UWSP780 |