| SpectraBase Compound ID | Ano2bYa3YPk |
|---|---|
| InChI | InChI=1S/C48H78I6O24/c1-55-31-25-19(13-49)67-43(37(31)61-7)74-26-20(14-50)69-45(39(63-9)32(26)56-2)76-28-22(16-52)71-47(41(65-11)34(28)58-4)78-30-24(18-54)72-48(42(66-12)36(30)60-6)77-29-23(17-53)70-46(40(64-10)35(29)59-5)75-27-21(15-51)68-44(73-25)38(62-8)33(27)57-3/h19-48H,13-18H2,1-12H3/t19-,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-/m1/s1 |
| InChIKey | WUBRKFRHRYJQET-LZJZZLLASA-N |
| Mol Weight | 1800.6 g/mol |
| Molecular Formula | C48H78I6O24 |
| Exact Mass | 1799.915123 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7OdnDl8c29O |
|---|---|
| Name | HEXAKIS-(2,3-DI-O-METHYL-6-DEOXY-6-IODO)-ALPHA-CYCLODEXTRIN |
| Compound Number | J-DM-ALPHA-CD |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H78I6O24 |
| InChI | InChI=1S/C48H78I6O24/c1-55-31-25-19(13-49)67-43(37(31)61-7)74-26-20(14-50)69-45(39(63-9)32(26)56-2)76-28-22(16-52)71-47(41(65-11)34(28)58-4)78-30-24(18-54)72-48(42(66-12)36(30)60-6)77-29-23(17-53)70-46(40(64-10)35(29)59-5)75-27-21(15-51)68-44(73-25)38(62-8)33(27)57-3/h19-48H,13-18H2,1-12H3/t19-,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-/m1/s1 |
| InChIKey | WUBRKFRHRYJQET-LZJZZLLASA-N |
| Literature Reference Author | P.R.ASHTON,E.Y.HARTWELL,D.PHILP,N.SPENCER,J.F.STODDART |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-2,1263(1995) |
| Literature Reference DOI | 10.1039/p29950001263 |
| Molecular Weight | 1800.560 g/mol |
| Solvent | C6D6 |