| SpectraBase Compound ID | 506Q0lr6ATk |
|---|---|
| InChI | InChI=1S/C35H50N2O36S4.2Na/c1-10(38)36-16-25(23(72-76(55,56)57)14(8-62-74(49,50)51)65-32(16)64-13-6-4-12(61-3)5-7-13)68-35-22(44)20(42)27(29(71-35)31(47)48)69-33-17(37-11(2)39)26(67-34-21(43)18(40)19(41)28(70-34)30(45)46)24(73-77(58,59)60)15(66-33)9-63-75(52,53)54;;/h4-7,14-29,32-35,40-44H,8-9H2,1-3H3,(H,36,38)(H,37,39)(H,45,46)(H,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60);;/q;2*+1/p-2/t14-,15-,16-,17-,18+,19+,20+,21-,22+,23+,24+,25-,26-,27-,28-,29-,32-,33+,34-,35+;;/m0../s1 |
| InChIKey | DLFGWMIXEQTFOQ-APQKWHQTSA-L |
| Mol Weight | 1246.96653856 g/mol |
| Molecular Formula | C35H48N2Na2O36S4 |
| Exact Mass | 1246.066499 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ep19wWJl8Fu |
|---|---|
| Name | #50-DISODIUM-SALT;4-METHOXYPHENYL-O-(ALPHA-L-IDOPYRANOSYLURONIC-ACID)-(1->3)-O-(2-ACETAMIDO-2-DEOXY-4,6-DI-O-SULFO-BETA-D-GALACTOPYRANOSYL)-(1->4)-O-(BETA-D-GL |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H48N2Na2O36S4 |
| InChI | InChI=1S/C35H50N2O36S4.2Na/c1-10(38)36-16-25(23(72-76(55,56)57)14(8-62-74(49,50)51)65-32(16)64-13-6-4-12(61-3)5-7-13)68-35-22(44)20(42)27(29(71-35)31(47)48)69-33-17(37-11(2)39)26(67-34-21(43)18(40)19(41)28(70-34)30(45)46)24(73-77(58,59)60)15(66-33)9-63-75(52,53)54;;/h4-7,14-29,32-35,40-44H,8-9H2,1-3H3,(H,36,38)(H,37,39)(H,45,46)(H,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60);;/q;2*+1/p-2/t14-,15-,16-,17-,18+,19+,20+,21-,22+,23+,24+,25-,26-,27-,28-,29-,32-,33+,34-,35+;;/m0../s1 |
| InChIKey | DLFGWMIXEQTFOQ-APQKWHQTSA-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 | 1246.977 g/mol |
| Solvent | D2O |
| Source File Reference | UWLU85347 |