| SpectraBase Compound ID | 6LJIA1vQqhD |
|---|---|
| InChI | InChI=1S/C28H40N4O10S2/c1-14(34)29-23-18(35)10-28(26(39)40,42-25(23)24(38)19(36)11-33)44-12-15-6-8-16(9-7-15)30-21(37)5-3-2-4-20-22-17(13-43-20)31-27(41)32-22/h6-9,17-20,22-25,33,35-36,38H,2-5,10-13H2,1H3,(H,29,34)(H,30,37)(H,39,40)(H2,31,32,41)/t17-,18+,19-,20-,22-,23-,24-,25-,28+/m0/s1 |
| InChIKey | ZVUVSXKSRAVFDO-IQWFTYCUSA-N |
| Mol Weight | 656.8 g/mol |
| Molecular Formula | C28H40N4O10S2 |
| Exact Mass | 656.218586 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4jYxPYYbFTj |
|---|---|
| Name | S-D-BIOTINOYL-4-AMINOBENZYL-5-ACETAMIDO-3,5-DIDEOXY-2-THIO-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSIDONIC-ACID |
| Compound Number | 21 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H40N4O10S2 |
| InChI | InChI=1S/C28H40N4O10S2/c1-14(34)29-23-18(35)10-28(26(39)40,42-25(23)24(38)19(36)11-33)44-12-15-6-8-16(9-7-15)30-21(37)5-3-2-4-20-22-17(13-43-20)31-27(41)32-22/h6-9,17-20,22-25,33,35-36,38H,2-5,10-13H2,1H3,(H,29,34)(H,30,37)(H,39,40)(H2,31,32,41)/t17-,18+,19-,20-,22-,23-,24-,25-,28+/m0/s1 |
| InChIKey | ZVUVSXKSRAVFDO-IQWFTYCUSA-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 | 656.766 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN20493 |