| SpectraBase Compound ID | AhUMeT805ZM |
|---|---|
| InChI | InChI=1S/C32H42N2O19/c1-9-43-23-10-11-34(32(42)33-23)30-28(49-19(7)40)26(47-17(5)38)25(21(51-30)12-44-14(2)35)53-31-29(50-20(8)41)27(48-18(6)39)24(46-16(4)37)22(52-31)13-45-15(3)36/h10-11,21-22,24-31H,9,12-13H2,1-8H3/t21-,22-,24-,25?,26+,27+,28-,29-,30-,31+/m1/s1 |
| InChIKey | KASMVVCPFRAODB-MVWQVLOTSA-N |
| Mol Weight | 758.7 g/mol |
| Molecular Formula | C32H42N2O19 |
| Exact Mass | 758.238177 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8RhNsnxeXzr |
|---|---|
| Name | (+)-4-ethoxy-1-(4-o-beta-D-glucopyranosyl-beta-D-glucopyranosyl)-2(1H)-pyrimidinone, heptaacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 758.238177121 u |
| Formula | C32H42N2O19 |
| InChI | InChI=1S/C32H42N2O19/c1-9-43-23-10-11-34(32(42)33-23)30-28(49-19(7)40)26(47-17(5)38)25(21(51-30)12-44-14(2)35)53-31-29(50-20(8)41)27(48-18(6)39)24(46-16(4)37)22(52-31)13-45-15(3)36/h10-11,21-22,24-31H,9,12-13H2,1-8H3/t21-,22-,24-,25?,26+,27+,28-,29-,30-,31+/m1/s1 |
| InChIKey | KASMVVCPFRAODB-MVWQVLOTSA-N |
| Molecular Weight | 758.683 g/mol |
| SMILES | C=1C(=NC(N(C1)[C@@]1(O[C@@](C([C@@]([C@]1(OC(C)=O)[H])(OC(C)=O)[H])O[C@@]1(O[C@@]([C@]([C@@]([C@]1(OC(C)=O)[H])(OC(C)=O)[H])(OC(C)=O)[H])(COC(=O)C)[H])[H])(COC(=O)C)[H])[H])=O)OCC |