| SpectraBase Compound ID | 2qy5hm1K4wM |
|---|---|
| InChI | InChI=1S/C21H28O4/c1-19(23)18-3-2-14-13-9-17-16-8-12(22)4-6-20(16,10-24-17)15(13)5-7-21(14,18)11-25-19/h8,13-15,17-18,23H,2-7,9-11H2,1H3/t13-,14-,15-,17-,18+,19?,20-,21+/m0/s1 |
| InChIKey | PZUFCLGCBSIPHP-KWNWAYLCSA-N |
| Mol Weight | 344.45 g/mol |
| Molecular Formula | C21H28O4 |
| Exact Mass | 344.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8C1lWvhMkjj |
|---|---|
| Name | 18-HYDROXY-6,19-OXIDO-PREGN-4-ENE-3,20-DIONE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H28O4 |
| InChI | InChI=1S/C21H28O4/c1-19(23)18-3-2-14-13-9-17-16-8-12(22)4-6-20(16,10-24-17)15(13)5-7-21(14,18)11-25-19/h8,13-15,17-18,23H,2-7,9-11H2,1H3/t13-,14-,15-,17-,18+,19?,20-,21+/m0/s1 |
| InChIKey | PZUFCLGCBSIPHP-KWNWAYLCSA-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 | 344.451 g/mol |
| Sample ID | 968656 |
| Solvent | CDCl3 |