| SpectraBase Compound ID | 6Bj1xF9KESB |
|---|---|
| InChI | InChI=1S/C49H91N7O28/c50-8-1-15-36-22(57)29(64)43(71-15)79-37-16(2-9-51)73-45(31(66)24(37)59)81-39-18(4-11-53)75-47(33(68)26(39)61)83-41-20(6-13-55)77-49(35(70)28(41)63)84-42-21(7-14-56)76-48(34(69)27(42)62)82-40-19(5-12-54)74-46(32(67)25(40)60)80-38-17(3-10-52)72-44(78-36)30(65)23(38)58/h15-49,57-70H,1-14,50-56H2/t15-,16-,17-,18-,19-,20-,21+,22-,23-,24-,25-,26-,27+,28-,29-,30-,31-,32-,33-,34+,35-,36-,37-,38-,39-,40-,41-,42+,43+,44+,45+,46+,47+,48-,49+/m0/s1 |
| InChIKey | XKZXVDXLVQCDGW-FMFOHCEGSA-N |
| Mol Weight | 1226.3 g/mol |
| Molecular Formula | C49H91N7O28 |
| Exact Mass | 1225.591205 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 1VTcjD6xuwo |
|---|---|
| Name | PER-6-(AMINOMETHYL)-6-DEOXY-BETA-CYClODEXTRIN |
| Compound Number | 17B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H91N7O28 |
| InChI | InChI=1S/C49H91N7O28/c50-8-1-15-36-22(57)29(64)43(71-15)79-37-16(2-9-51)73-45(31(66)24(37)59)81-39-18(4-11-53)75-47(33(68)26(39)61)83-41-20(6-13-55)77-49(35(70)28(41)63)84-42-21(7-14-56)76-48(34(69)27(42)62)82-40-19(5-12-54)74-46(32(67)25(40)60)80-38-17(3-10-52)72-44(78-36)30(65)23(38)58/h15-49,57-70H,1-14,50-56H2/t15-,16-,17-,18-,19-,20-,21+,22-,23-,24-,25-,26-,27+,28-,29-,30-,31-,32-,33-,34+,35-,36-,37-,38-,39-,40-,41-,42+,43+,44+,45+,46+,47+,48-,49+/m0/s1 |
| InChIKey | XKZXVDXLVQCDGW-FMFOHCEGSA-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 | 1226.292 g/mol |
| Solvent | D2O |
| Source File Reference | UWSP795 |