| SpectraBase Compound ID | H3dOgD3AMzb |
|---|---|
| InChI | InChI=1S/C22H27N3O7S/c1-20(30,12-26)17(27)22-19(29)24-21(31,18(28)25-22)15(6-8-32-22)11-33-10-13-4-5-16-14(9-13)3-2-7-23-16/h2-5,7,9,15,17,26-27,30-31H,6,8,10-12H2,1H3,(H,24,29)(H,25,28)/t15?,17?,20?,21-,22-/m1/s1 |
| InChIKey | UQYSUJACRXASPB-SSQXXTRJSA-N |
| Mol Weight | 477.53 g/mol |
| Molecular Formula | C22H27N3O7S |
| Exact Mass | 477.156971 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CdRn7nSiwtj |
|---|---|
| Name | 5A-(QUINOLIN-6-YL-METHYLSULFANYL)-DIHYDROBICYCLOMYCIN;MAJOR-DIASTEREOMER |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H27N3O7S |
| InChI | InChI=1S/C22H27N3O7S/c1-20(30,12-26)17(27)22-19(29)24-21(31,18(28)25-22)15(6-8-32-22)11-33-10-13-4-5-16-14(9-13)3-2-7-23-16/h2-5,7,9,15,17,26-27,30-31H,6,8,10-12H2,1H3,(H,24,29)(H,25,28)/t15?,17?,20?,21-,22-/m1/s1 |
| InChIKey | UQYSUJACRXASPB-SSQXXTRJSA-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 | 477.532 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN25374 |