| SpectraBase Compound ID | L2gXvmnGxJr |
|---|---|
| InChI | InChI=1S/C49H62N2O24.2Na/c1-22(54)50-30-37(32(56)28(18-52)69-46(30)68-27-16-14-26(65-3)15-17-27)72-49-36(60)40(67-21-25-12-8-5-9-13-25)42(43(75-49)45(63)64)74-47-31(51-23(2)55)38(33(57)29(19-53)70-47)71-48-35(59)39(34(58)41(73-48)44(61)62)66-20-24-10-6-4-7-11-24;;/h4-17,28-43,46-49,52-53,56-60H,18-21H2,1-3H3,(H,50,54)(H,51,55)(H,61,62)(H,63,64);;/q;2*+1/p-2/t28-,29-,30-,31-,32+,33+,34+,35-,36-,37-,38-,39+,40-,41+,42+,43+,46-,47+,48-,49-;;/m1../s1 |
| InChIKey | LFZKQMBNUFBLJG-NXPVPVDFSA-L |
| Mol Weight | 1106.98853856 g/mol |
| Molecular Formula | C49H60N2Na2O24 |
| Exact Mass | 1106.333139 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9x3dvgUWuim |
|---|---|
| Name | LFZKQMBNUFBLJG-NXPVPVDFSA-L |
| Compound Number | 36-DISODIUM-SALT |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H60N2Na2O24 |
| InChI | InChI=1S/C49H62N2O24.2Na/c1-22(54)50-30-37(32(56)28(18-52)69-46(30)68-27-16-14-26(65-3)15-17-27)72-49-36(60)40(67-21-25-12-8-5-9-13-25)42(43(75-49)45(63)64)74-47-31(51-23(2)55)38(33(57)29(19-53)70-47)71-48-35(59)39(34(58)41(73-48)44(61)62)66-20-24-10-6-4-7-11-24;;/h4-17,28-43,46-49,52-53,56-60H,18-21H2,1-3H3,(H,50,54)(H,51,55)(H,61,62)(H,63,64);;/q;2*+1/p-2/t28-,29-,30-,31-,32+,33+,34+,35-,36-,37-,38-,39+,40-,41+,42+,43+,46-,47+,48-,49-;;/m1../s1 |
| InChIKey | LFZKQMBNUFBLJG-NXPVPVDFSA-L |
| Literature Reference Author | G.MACCHIONE,S.MAZA,M.M.KAYSER,J.L.DEPAZ,P.M.NIETO |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2014,3868(2014) |
| Literature Reference DOI | 10.1002/ejoc.201402222 |
| Molecular Weight | 1106.994 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU85336 |