| SpectraBase Compound ID | 2JnA6mrx7LJ |
|---|---|
| InChI | InChI=1S/C22H26N2O7S/c1-20(29,12-25)17(26)22-19(28)23-21(30,18(27)24-22)14(9-10-31-22)11-32-16-8-4-6-13-5-2-3-7-15(13)16/h2-8,14,17,25-26,29-30H,9-12H2,1H3,(H,23,28)(H,24,27)/t14-,17?,20?,21-,22-/m1/s1 |
| InChIKey | JTXJHBXDBAVMEC-HTMPFNPUSA-N |
| Mol Weight | 462.52 g/mol |
| Molecular Formula | C22H26N2O7S |
| Exact Mass | 462.146072 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Efr18lmI4Nr |
|---|---|
| Name | 5A-(NAPHTH-1-YL-SULFANYL)-DIHYDROBICYCLOMYCIN;MINOR-DIASTEREOMER |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H26N2O7S |
| InChI | InChI=1S/C22H26N2O7S/c1-20(29,12-25)17(26)22-19(28)23-21(30,18(27)24-22)14(9-10-31-22)11-32-16-8-4-6-13-5-2-3-7-15(13)16/h2-8,14,17,25-26,29-30H,9-12H2,1H3,(H,23,28)(H,24,27)/t14-,17?,20?,21-,22-/m1/s1 |
| InChIKey | JTXJHBXDBAVMEC-HTMPFNPUSA-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 | 462.518 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN25367 |