| SpectraBase Compound ID | B2TaAjPb84k |
|---|---|
| InChI | InChI=1S/C17H23N3O7S/c1-15(25,9-21)12(22)17-14(24)19-16(26,13(23)20-17)10(4-7-27-17)8-28-11-2-5-18-6-3-11/h2-3,5-6,10,12,21-22,25-26H,4,7-9H2,1H3,(H,19,24)(H,20,23)/t10-,12?,15?,16+,17+/m0/s1 |
| InChIKey | NWLBKFWHOQSUCS-FSFYSSSPSA-N |
| Mol Weight | 413.45 g/mol |
| Molecular Formula | C17H23N3O7S |
| Exact Mass | 413.125671 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E7EhRFZviI0 |
|---|---|
| Name | 5A-(PYRIDIN-4-YL-SULFANYL)-DIHYDROBICYCLOMYCIN;MAJOR-DIASTEREOMER |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C17H23N3O7S |
| InChI | InChI=1S/C17H23N3O7S/c1-15(25,9-21)12(22)17-14(24)19-16(26,13(23)20-17)10(4-7-27-17)8-28-11-2-5-18-6-3-11/h2-3,5-6,10,12,21-22,25-26H,4,7-9H2,1H3,(H,19,24)(H,20,23)/t10-,12?,15?,16+,17+/m0/s1 |
| InChIKey | NWLBKFWHOQSUCS-FSFYSSSPSA-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 | 413.446 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN25378 |