| SpectraBase Compound ID | AFmTzO8r5iX |
|---|---|
| InChI | InChI=1S/C25H30N2O7S/c1-22(2)33-14-23(3,34-22)19(28)25-21(30)26-24(31,20(29)27-25)16(11-12-32-25)13-35-18-10-6-8-15-7-4-5-9-17(15)18/h4-10,16,19,28,31H,11-14H2,1-3H3,(H,26,30)(H,27,29)/t16-,19?,23?,24-,25-/m1/s1 |
| InChIKey | UUQOFGLUAGKKIE-LRYMBFDCSA-N |
| Mol Weight | 502.58 g/mol |
| Molecular Formula | C25H30N2O7S |
| Exact Mass | 502.177372 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J1sVmIQ4EZF |
|---|---|
| Name | 5A-(NAPHTH-1-YL-SULFANYL)-DIHYDROBICYCLOMYCIN-2',3'-ACETONIDE;MAJOR-DIASTEREOMER |
| Compound Number | 22 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H30N2O7S |
| InChI | InChI=1S/C25H30N2O7S/c1-22(2)33-14-23(3,34-22)19(28)25-21(30)26-24(31,20(29)27-25)16(11-12-32-25)13-35-18-10-6-8-15-7-4-5-9-17(15)18/h4-10,16,19,28,31H,11-14H2,1-3H3,(H,26,30)(H,27,29)/t16-,19?,23?,24-,25-/m1/s1 |
| InChIKey | UUQOFGLUAGKKIE-LRYMBFDCSA-N |
| Literature Reference Author | A.P.BROGAN,W.R.WIDGER,H.KOHN |
| Literature Reference Citation | J.ORG.CHEM.,68,5575(2003) |
| Literature Reference DOI | 10.1021/jo030020u |
| Molecular Weight | 502.582 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN25350 |