| SpectraBase Compound ID | 2XUcHWSFIWQ |
|---|---|
| InChI | InChI=1S/C25H34O7/c1-14(26)31-13-21(32-15(2)27)25(30)10-8-19-18-6-5-16-11-17(28)7-9-23(16,3)22(18)20(29)12-24(19,25)4/h11,18-19,21-22,30H,5-10,12-13H2,1-4H3/t18?,19?,21?,22?,23-,24-,25-/m0/s1 |
| InChIKey | DCSFDYNORBQIEW-OWSIVQKFSA-N |
| Mol Weight | 446.5 g/mol |
| Molecular Formula | C25H34O7 |
| Exact Mass | 446.230453 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | Dhs3HMK813T |
|---|---|
| Name | 4-Pregnen-17,20α,21-triol-3,11-dione 20,21-diacetate |
| Source of Sample | Steraloids Inc. |
| Catalog Number | Q3945-000 |
| Lot Number | 1603 |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H34O7 |
| InChI | InChI=1S/C25H34O7/c1-14(26)31-13-21(32-15(2)27)25(30)10-8-19-18-6-5-16-11-17(28)7-9-23(16,3)22(18)20(29)12-24(19,25)4/h11,18-19,21-22,30H,5-10,12-13H2,1-4H3/t18?,19?,21?,22?,23-,24-,25-/m0/s1 |
| InChIKey | DCSFDYNORBQIEW-OWSIVQKFSA-N |
| Instrument Name | Bio-Rad FTS |
| Molecular Weight | 446.540 g/mol |
| SMILES | O[C@@]1(CCC2C3CC\C4=C\C(CC[C@@]4(C3C(C[C@]12C)=O)C)=O)C(COC(=O)C)OC(=O)C |
| Source of Spectrum | Forensic Spectral Research |
| Technique | KBr0 |