| SpectraBase Compound ID | 5Fu1rRUfjhb |
|---|---|
| InChI | InChI=1S/C17H31ClN2O5S/c1-4-5-9-6-10(19-7-9)16(24)20-11(8(2)18)15-13(22)12(21)14(23)17(25-15)26-3/h8-15,17,19,21-23H,4-7H2,1-3H3,(H,20,24)/t8?,9-,10+,11?,12+,13-,14-,15-,17-/m1/s1 |
| InChIKey | HDBHHHCDEYATPY-KSOBAXNASA-N |
| Mol Weight | 410.96 g/mol |
| Molecular Formula | C17H31ClN2O5S |
| Exact Mass | 410.164221 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6JOI7gxpajT |
|---|---|
| Name | N-DEMETHYLCLINDAMYCIN |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C17H31ClN2O5S |
| InChI | InChI=1S/C17H31ClN2O5S/c1-4-5-9-6-10(19-7-9)16(24)20-11(8(2)18)15-13(22)12(21)14(23)17(25-15)26-3/h8-15,17,19,21-23H,4-7H2,1-3H3,(H,20,24)/t8?,9-,10+,11?,12+,13-,14-,15-,17-/m1/s1 |
| InChIKey | HDBHHHCDEYATPY-KSOBAXNASA-N |
| Literature Reference Author | G.P.MOLONEY,D.J.CRAIK,M.N.ISKANDER |
| Literature Reference Citation | MAGN.RES.CHEM.,31,1077(1993) |
| Literature Reference DOI | 10.1002/mrc.1260311209 |
| Molecular Weight | 410.957 g/mol |
| Solvent | D2O |
| Source File Reference | UWPR34 |