![methanesulfonic acid [(1S,2S)-2-hydroxy-1-[(1S,6R)-6-hydroxy-8,10-diketo-5-methylene-2-oxa-7,9-diazabicyclo[4.2.2]decan-1-yl]-2-methyl-3-morpholino-propyl] ester](/api/spectrum/HeTfzGno64f/structure.png?h=300&w=458 "methanesulfonic acid [(1S,2S)-2-hydroxy-1-[(1S,6R)-6-hydroxy-8,10-diketo-5-methylene-2-oxa-7,9-diazabicyclo[4.2.2]decan-1-yl]-2-methyl-3-morpholino-propyl] ester")
| SpectraBase Compound ID | 6PWJCYxskVe |
|---|---|
| InChI | InChI=1S/C17H27N3O9S/c1-11-4-7-28-17(14(22)18-16(11,24)13(21)19-17)12(29-30(3,25)26)15(2,23)10-20-5-8-27-9-6-20/h12,23-24H,1,4-10H2,2-3H3,(H,18,22)(H,19,21)/t12-,15-,16+,17-/m0/s1 |
| InChIKey | JVNRZCTZLIFYOI-SJWGOKEGSA-N |
| Mol Weight | 449.48 g/mol |
| Molecular Formula | C17H27N3O9S |
| Exact Mass | 449.146801 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HeTfzGno64f |
|---|---|
| Name | methanesulfonic acid [(1S,2S)-2-hydroxy-1-[(1S,6R)-6-hydroxy-8,10-diketo-5-methylene-2-oxa-7,9-diazabicyclo[4.2.2]decan-1-yl]-2-methyl-3-morpholino-propyl] ester |
| Compound Number | 20 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C17H27N3O9S |
| InChI | InChI=1S/C17H27N3O9S/c1-11-4-7-28-17(14(22)18-16(11,24)13(21)19-17)12(29-30(3,25)26)15(2,23)10-20-5-8-27-9-6-20/h12,23-24H,1,4-10H2,2-3H3,(H,18,22)(H,19,21)/t12-,15-,16+,17-/m0/s1 |
| InChIKey | JVNRZCTZLIFYOI-SJWGOKEGSA-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 | 449.476 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWRU6936 |