| SpectraBase Compound ID | CiBYs8L6P6c |
|---|---|
| InChI | InChI=1S/C18H19N5O6.Na/c24-11-12(25)14(18(27)28)29-17(13(11)26)23-8-22-15(10-16(23)21-7-20-10)19-6-9-4-2-1-3-5-9;/h1-5,7-8,11-14,17,19,24-26H,6H2,(H,27,28);/q;+1/p-1/t11-,12-,13+,14-,17+;/m0./s1 |
| InChIKey | DNGQSOZTOKVGSL-PLTSUUMXSA-M |
| Mol Weight | 423.36 g/mol |
| Molecular Formula | C18H18N5NaO6 |
| Exact Mass | 423.115478 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9VEgRsb0C3v |
|---|---|
| Name | 3-BETA-D-GLUCOPYRANURONOSYL-6-BENZYLAMINOPURINE-SODIUM-SALT;BENZYLADENINE-N(3)-GLUCURONIDE-SODIUM-SALT;NA-BA3GN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C18H18N5NaO6 |
| InChI | InChI=1S/C18H19N5O6.Na/c24-11-12(25)14(18(27)28)29-17(13(11)26)23-8-22-15(10-16(23)21-7-20-10)19-6-9-4-2-1-3-5-9;/h1-5,7-8,11-14,17,19,24-26H,6H2,(H,27,28);/q;+1/p-1/t11-,12-,13+,14-,17+;/m0./s1 |
| InChIKey | DNGQSOZTOKVGSL-PLTSUUMXSA-M |
| Literature Reference Author | F.T.OKKELS,J.L.WARD,M.JOERSBO |
| Literature Reference Citation | PHYTOCHEM.,46,801(1997) |
| Literature Reference DOI | 10.1016/s0031-9422(97)00373-7 |
| Molecular Weight | 423.361 g/mol |
| Sample ID | 45413 |
| Solvent | CD3OD:D2O |