| SpectraBase Compound ID | 868uO7YvtrO |
|---|---|
| InChI | InChI=1S/C22H30BrIO4/c1-13(26)16-2-3-17-15-8-19-22(23)9-14(28-12-25)4-7-21(22,11-27-19)18(15)5-6-20(16,17)10-24/h12,14-19H,2-11H2,1H3/t14-,15-,16+,17-,18-,19-,20-,21-,22-/m0/s1 |
| InChIKey | AJPUHBKKGUUIHB-OFCKGXITSA-N |
| Mol Weight | 565.29 g/mol |
| Molecular Formula | C22H30BrIO4 |
| Exact Mass | 564.037217 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7yNRnrb9Mdv |
|---|---|
| Name | 5-ALPHA-BROMO-3-BETA-FORMYLOXY-18-IODO-6,19-OXIDO-PREGNAN-20-ONE |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H30BrIO4 |
| InChI | InChI=1S/C22H30BrIO4/c1-13(26)16-2-3-17-15-8-19-22(23)9-14(28-12-25)4-7-21(22,11-27-19)18(15)5-6-20(16,17)10-24/h12,14-19H,2-11H2,1H3/t14-,15-,16+,17-,18-,19-,20-,21-,22-/m0/s1 |
| InChIKey | AJPUHBKKGUUIHB-OFCKGXITSA-N |
| Literature Reference Author | M.O.V.B.DOCTOROVICH,A.A.GHINI,G.BURTON |
| Literature Reference Citation | STEROIDS,61,345(1996) |
| Literature Reference DOI | 10.1016/0039-128x(96)00034-7 |
| Molecular Weight | 565.286 g/mol |
| Sample ID | 968655 |
| Solvent | CDCl3 |