| SpectraBase Compound ID | FmNNak79Dhc |
|---|---|
| InChI | InChI=1S/C22H32N2O7S/c1-19(2,3)13-5-7-15(8-6-13)32-11-14-9-10-31-22(16(26)20(4,29)12-25)18(28)23-21(14,30)17(27)24-22/h5-8,14,16,25-26,29-30H,9-12H2,1-4H3,(H,23,28)(H,24,27)/t14?,16?,20?,21-,22-/m1/s1 |
| InChIKey | SBPPZIYLASYVTO-BTAHHVQTSA-N |
| Mol Weight | 468.6 g/mol |
| Molecular Formula | C22H32N2O7S |
| Exact Mass | 468.193023 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AjIQUd0MRx |
|---|---|
| Name | 5A-(4-TERT.-BUTYL-PHENYL-SULFANYL)-DIHYDROBICYCLOMYCIN;MINOR-DIASTEREOMER |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H32N2O7S |
| InChI | InChI=1S/C22H32N2O7S/c1-19(2,3)13-5-7-15(8-6-13)32-11-14-9-10-31-22(16(26)20(4,29)12-25)18(28)23-21(14,30)17(27)24-22/h5-8,14,16,25-26,29-30H,9-12H2,1-4H3,(H,23,28)(H,24,27)/t14?,16?,20?,21-,22-/m1/s1 |
| InChIKey | SBPPZIYLASYVTO-BTAHHVQTSA-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 | 468.565 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN25365 |