| SpectraBase Compound ID | 5ts3MMAd2K7 |
|---|---|
| InChI | InChI=1S/C21H27NO3/c1-11(22-24)14-6-7-15-13-5-4-12-10-17(23)18-19(25-18)21(12,3)16(13)8-9-20(14,15)2/h4-5,10,13-16,18-19,24H,6-9H2,1-3H3/b22-11+/t13-,14+,15-,16-,18-,19-,20+,21-/m0/s1 |
| InChIKey | OKMQEVKTSNVEMJ-ORPWPYFRSA-N |
| Mol Weight | 341.45 g/mol |
| Molecular Formula | C21H27NO3 |
| Exact Mass | 341.199094 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CpoNiNeWqDt |
|---|---|
| Name | 1-ALPHA,2-ALPHA-EPOXY-PREGNA-4,6-DIENE-3,20-DIONE-20-OXIME |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H26NO3 |
| InChI | InChI=1S/C21H27NO3/c1-11(22-24)14-6-7-15-13-5-4-12-10-17(23)18-19(25-18)21(12,3)16(13)8-9-20(14,15)2/h4-5,10,13-16,18-19,24H,6-9H2,1-3H3/b22-11+/t13-,14+,15-,16-,18-,19-,20+,21-/m0/s1 |
| InChIKey | OKMQEVKTSNVEMJ-ORPWPYFRSA-N |
| Literature Reference Author | S.KIM,Y.U.KIM,E.MA |
| Literature Reference Citation | MOLECULES,17,355(2012) |
| Literature Reference DOI | 10.3390/molecules17010355 |
| Molecular Weight | 340.442 g/mol |
| Sample ID | 72943 |
| Solvent | CDCl3 |