| SpectraBase Compound ID | Gn2l6XIwp9R |
|---|---|
| InChI | InChI=1S/C21H28N2O3/c1-11(22-24)14-6-7-15-13-5-4-12-10-17(23-25)18-19(26-18)21(12,3)16(13)8-9-20(14,15)2/h4-5,10,13-16,18-19,24-25H,6-9H2,1-3H3/b22-11+,23-17+/t13-,14+,15-,16-,18-,19-,20+,21-/m0/s1 |
| InChIKey | OFXWXNCBQHQXHO-SJHPXHDGSA-N |
| Mol Weight | 356.47 g/mol |
| Molecular Formula | C21H28N2O3 |
| Exact Mass | 356.209993 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5KG7DBr60cp |
|---|---|
| Name | 1-ALPHA,2-ALPHA-EPOXY-PREGNA-4,6-DIENE-3,20-DIONE-3,20-DIOXIME |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H26N2O3 |
| InChI | InChI=1S/C21H28N2O3/c1-11(22-24)14-6-7-15-13-5-4-12-10-17(23-25)18-19(26-18)21(12,3)16(13)8-9-20(14,15)2/h4-5,10,13-16,18-19,24-25H,6-9H2,1-3H3/b22-11+,23-17+/t13-,14+,15-,16-,18-,19-,20+,21-/m0/s1 |
| InChIKey | OFXWXNCBQHQXHO-SJHPXHDGSA-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 | 354.449 g/mol |
| Sample ID | 72944 |
| Solvent | CDCl3 |