![(1S,6R)-1-[(1S,2R)-3-(ethylthio)-1,2-dihydroxy-2-methyl-propyl]-6-hydroxy-5-methylene-2-oxa-7,9-diazabicyclo[4.2.2]decane-8,10-quinone](/api/spectrum/4ilmuk3Gj1b/structure.png?h=300&w=458 "(1S,6R)-1-[(1S,2R)-3-(ethylthio)-1,2-dihydroxy-2-methyl-propyl]-6-hydroxy-5-methylene-2-oxa-7,9-diazabicyclo[4.2.2]decane-8,10-quinone")
| SpectraBase Compound ID | CJw0IT5nQZ9 |
|---|---|
| InChI | InChI=1S/C14H22N2O6S/c1-4-23-7-12(3,20)9(17)14-11(19)15-13(21,10(18)16-14)8(2)5-6-22-14/h9,17,20-21H,2,4-7H2,1,3H3,(H,15,19)(H,16,18)/t9-,12-,13+,14-/m0/s1 |
| InChIKey | MEIUIIFPTXDUGR-WTDIUWLJSA-N |
| Mol Weight | 346.4 g/mol |
| Molecular Formula | C14H22N2O6S |
| Exact Mass | 346.119858 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4ilmuk3Gj1b |
|---|---|
| Name | (1S,6R)-1-[(1S,2R)-3-(ethylthio)-1,2-dihydroxy-2-methyl-propyl]-6-hydroxy-5-methylene-2-oxa-7,9-diazabicyclo[4.2.2]decane-8,10-quinone |
| Compound Number | 21 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C14H22N2O6S |
| InChI | InChI=1S/C14H22N2O6S/c1-4-23-7-12(3,20)9(17)14-11(19)15-13(21,10(18)16-14)8(2)5-6-22-14/h9,17,20-21H,2,4-7H2,1,3H3,(H,15,19)(H,16,18)/t9-,12-,13+,14-/m0/s1 |
| InChIKey | MEIUIIFPTXDUGR-WTDIUWLJSA-N |
| Literature Reference Author | H.G.PARK,M.A.VELA,H.KOHN |
| Literature Reference Citation | J.AM.CHEM.SOC.,116,471(1994) |
| Literature Reference DOI | 10.1021/ja00081a006 |
| Molecular Weight | 346.398 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWRU6937 |