| SpectraBase Compound ID | 1vzLnjEwOkQ |
|---|---|
| InChI | InChI=1S/C54H102N6O30/c1-55(7-13-61)19-25-43-31(67)37(73)49(79-25)86-44-26(20-56(2)8-14-62)81-51(39(75)33(44)69)88-46-28(22-58(4)10-16-64)83-53(41(77)35(46)71)90-48-30(24-60(6)12-18-66)84-54(42(78)36(48)72)89-47-29(23-59(5)11-17-65)82-52(40(76)34(47)70)87-45-27(21-57(3)9-15-63)80-50(85-43)38(74)32(45)68/h25-54,61-78H,7-24H2,1-6H3/t25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49+,50+,51+,52+,53+,54+/m0/s1 |
| InChIKey | NXIRNBZXWRHUFP-JYMYJKDMSA-N |
| Mol Weight | 1315.4 g/mol |
| Molecular Formula | C54H102N6O30 |
| Exact Mass | 1314.664036 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4rRvWOZzOJ1 |
|---|---|
| Name | PER-6-(N-METHYL-N-(2-HYDROXYETHYL)-AMINO)-6-DEOXY-ALPHA-CYClODEXTRIN |
| Compound Number | 3A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H102N6O30 |
| InChI | InChI=1S/C54H102N6O30/c1-55(7-13-61)19-25-43-31(67)37(73)49(79-25)86-44-26(20-56(2)8-14-62)81-51(39(75)33(44)69)88-46-28(22-58(4)10-16-64)83-53(41(77)35(46)71)90-48-30(24-60(6)12-18-66)84-54(42(78)36(48)72)89-47-29(23-59(5)11-17-65)82-52(40(76)34(47)70)87-45-27(21-57(3)9-15-63)80-50(85-43)38(74)32(45)68/h25-54,61-78H,7-24H2,1-6H3/t25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49+,50+,51+,52+,53+,54+/m0/s1 |
| InChIKey | NXIRNBZXWRHUFP-JYMYJKDMSA-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 | 1315.426 g/mol |
| Solvent | D2O |
| Source File Reference | UWSP778 |