| SpectraBase Compound ID | CBuqtosemGa |
|---|---|
| InChI | InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,17-18,22,25-26H,3-8,10-11H2,1-2H3/t14?,15?,17-,18?,19-,20-,21-/m0/s1 |
| InChIKey | XBIDABJJGYNJTK-ZEPATHCNSA-N |
| Mol Weight | 362.47 g/mol |
| Molecular Formula | C21H30O5 |
| Exact Mass | 362.209324 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 2BQOdmYwAMg |
|---|---|
| Name | 4-Pregnen-17,20α,21-triol-3,11-dione |
| Source of Sample | Steraloids Inc. |
| Catalog Number | Q3930-000 |
| Lot Number | 1407 |
| CAS Registry Number | 566-38-1 |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H30O5 |
| InChI | InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,17-18,22,25-26H,3-8,10-11H2,1-2H3/t14?,15?,17-,18?,19-,20-,21-/m0/s1 |
| InChIKey | XBIDABJJGYNJTK-ZEPATHCNSA-N |
| Instrument Name | Bio-Rad FTS |
| SMILES | O[C@@](CO)([C@]1(CCC2C3CC\C4=C\C(CC[C@@]4(C3C(C[C@]12C)=O)C)=O)O)[H] |
| Source of Spectrum | Forensic Spectral Research |
| Synonyms | 20α-Dihydrocortisone; Reichstein's EPI 'U' |
| Technique | KBr0 |