| SpectraBase Compound ID | Lx44hQxmf2J |
|---|---|
| InChI | InChI=1S/C37H50N4O14S2/c1-19(42)38-32-27(52-21(3)44)15-37(35(48)50-6,55-34(32)33(54-23(5)46)28(53-22(4)45)16-51-20(2)43)57-17-24-11-13-25(14-12-24)39-30(47)10-8-7-9-29-31-26(18-56-29)40-36(49)41-31/h11-14,26-29,31-34H,7-10,15-18H2,1-6H3,(H,38,42)(H,39,47)(H2,40,41,49)/t26-,27+,28+,29-,31-,32-,33-,34-,37+/m0/s1 |
| InChIKey | BIFJDZNXUNJNCS-MUHMSZQASA-N |
| Mol Weight | 838.9 g/mol |
| Molecular Formula | C37H50N4O14S2 |
| Exact Mass | 838.276495 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 76IZh1gQQ0 |
|---|---|
| Name | METHYL-(S-D-BIOTINOYL-4-AMINOBENZYL-5-ACETAMIDO-4,7,8,9-TETRA-O-ACETYL-3,5-DIDEOXY-2-THIO-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSID)-ONATE |
| Compound Number | 18 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H50N4O14S2 |
| InChI | InChI=1S/C37H50N4O14S2/c1-19(42)38-32-27(52-21(3)44)15-37(35(48)50-6,55-34(32)33(54-23(5)46)28(53-22(4)45)16-51-20(2)43)57-17-24-11-13-25(14-12-24)39-30(47)10-8-7-9-29-31-26(18-56-29)40-36(49)41-31/h11-14,26-29,31-34H,7-10,15-18H2,1-6H3,(H,38,42)(H,39,47)(H2,40,41,49)/t26-,27+,28+,29-,31-,32-,33-,34-,37+/m0/s1 |
| InChIKey | BIFJDZNXUNJNCS-MUHMSZQASA-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 | 838.942 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN20490 |