| SpectraBase Compound ID | C24NIJyeS3V |
|---|---|
| InChI | InChI=1S/C25H36N4O7S2/c1-13(31)26-21-23(34)22(33)17(10-30)36-24(21)38-11-14-6-8-15(9-7-14)27-19(32)5-3-2-4-18-20-16(12-37-18)28-25(35)29-20/h6-9,16-18,20-24,30,33-34H,2-5,10-12H2,1H3,(H,26,31)(H,27,32)(H2,28,29,35)/t16-,17+,18-,20-,21+,22+,23+,24-/m0/s1 |
| InChIKey | ATYLSXNSXQUMER-QDPVUTQLSA-N |
| Mol Weight | 568.7 g/mol |
| Molecular Formula | C25H36N4O7S2 |
| Exact Mass | 568.202542 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8YN7uifdGCo |
|---|---|
| Name | S-D-BIOTINOYL-4-AMINOBENZYL-2-ACETAMIDO-2-DEOXY-1-THIO-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 22 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H36N4O7S2 |
| InChI | InChI=1S/C25H36N4O7S2/c1-13(31)26-21-23(34)22(33)17(10-30)36-24(21)38-11-14-6-8-15(9-7-14)27-19(32)5-3-2-4-18-20-16(12-37-18)28-25(35)29-20/h6-9,16-18,20-24,30,33-34H,2-5,10-12H2,1H3,(H,26,31)(H,27,32)(H2,28,29,35)/t16-,17+,18-,20-,21+,22+,23+,24-/m0/s1 |
| InChIKey | ATYLSXNSXQUMER-QDPVUTQLSA-N |
| Literature Reference Author | D.I.ANGUS,M.J.KIEFEL,M.V.ITZSTEIN |
| Literature Reference Citation | BIOORG.MED.CHEM.,8,2709(2000) |
| Literature Reference DOI | 10.1016/S0968-0896(00)00201-7 |
| Molecular Weight | 568.703 g/mol |
| Solvent | D2O |
| Source File Reference | UWVN20494 |