| SpectraBase Compound ID | A9G1POb1apc |
|---|---|
| InChI | InChI=1S/C23H28N2O7S/c1-21(30,13-26)18(27)23-20(29)24-22(31,19(28)25-23)17(8-9-32-23)12-33-11-14-6-7-15-4-2-3-5-16(15)10-14/h2-7,10,17-18,26-27,30-31H,8-9,11-13H2,1H3,(H,24,29)(H,25,28)/t17?,18?,21?,22-,23-/m1/s1 |
| InChIKey | RCWRINXVECTQOZ-AQUWNPHESA-N |
| Mol Weight | 476.54 g/mol |
| Molecular Formula | C23H28N2O7S |
| Exact Mass | 476.161722 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7yQluvTu7ND |
|---|---|
| Name | 5A-(NAPHTH-2-YL-METHYLSULFANYL)-DIHYDROBICYCLOMYCIN;MINOR-DIASTEREOMER |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H28N2O7S |
| InChI | InChI=1S/C23H28N2O7S/c1-21(30,13-26)18(27)23-20(29)24-22(31,19(28)25-23)17(8-9-32-23)12-33-11-14-6-7-15-4-2-3-5-16(15)10-14/h2-7,10,17-18,26-27,30-31H,8-9,11-13H2,1H3,(H,24,29)(H,25,28)/t17?,18?,21?,22-,23-/m1/s1 |
| InChIKey | RCWRINXVECTQOZ-AQUWNPHESA-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 | 476.545 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN25373 |