| SpectraBase Compound ID | Ak016E8OYMk |
|---|---|
| InChI | InChI=1S/C23H27NO7S/c1-15(25)24-20-18(13-16-9-5-3-6-10-16)29-19-14-28-23(17-11-7-4-8-12-17)30-21(19)22(20)31-32(2,26)27/h3-12,18-23H,13-14H2,1-2H3,(H,24,25)/t18?,19-,20+,21-,22?,23?/m1/s1 |
| InChIKey | BGPSJCQATGJQJY-AJMYIEMASA-N |
| Mol Weight | 461.53 g/mol |
| Molecular Formula | C23H27NO7S |
| Exact Mass | 461.150823 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2QA5aLF9Jy5 |
|---|---|
| Name | Benzyl 2-aceoamido-3-o-methanesulfonyl-4,6-benzylidene-2-deoxy-.alpha.-D-glucopyranoside |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 461.150823380 u |
| Formula | C23H27NO7S |
| InChI | InChI=1S/C23H27NO7S/c1-15(25)24-20-18(13-16-9-5-3-6-10-16)29-19-14-28-23(17-11-7-4-8-12-17)30-21(19)22(20)31-32(2,26)27/h3-12,18-23H,13-14H2,1-2H3,(H,24,25)/t18?,19-,20+,21-,22?,23?/m1/s1 |
| InChIKey | BGPSJCQATGJQJY-AJMYIEMASA-N |
| Molecular Weight | 461.529 g/mol |
| SMILES | [C@@]12([C@](OC([C@@](C2OS(=O)(=O)C)(NC(C)=O)[H])CC2=CC=CC=C2)(COC(O1)C1=CC=CC=C1)[H])[H] |