| SpectraBase Compound ID | A5HvKY2oFal |
|---|---|
| InChI | InChI=1S/C23H34O3/c1-4-26-16-9-11-22(2)15(13-16)5-6-17-18-7-8-20(21(25)14-24)23(18,3)12-10-19(17)22/h5,13,17-20,24H,4,6-12,14H2,1-3H3/t17-,18-,19-,20+,22-,23-/m0/s1 |
| InChIKey | UGHNQIOGHUQRBG-ACXQXYJUSA-N |
| Mol Weight | 358.5 g/mol |
| Molecular Formula | C23H34O3 |
| Exact Mass | 358.250795 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8ZfbiTboRRp |
|---|---|
| Name | 3,5-Pregnadien-3,21-diol-20-one, 3-ethyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.250794952 u |
| Formula | C23H34O3 |
| InChI | InChI=1S/C23H34O3/c1-4-26-16-9-11-22(2)15(13-16)5-6-17-18-7-8-20(21(25)14-24)23(18,3)12-10-19(17)22/h5,13,17-20,24H,4,6-12,14H2,1-3H3/t17-,18-,19-,20+,22-,23-/m0/s1 |
| InChIKey | UGHNQIOGHUQRBG-ACXQXYJUSA-N |
| Molecular Weight | 358.522 g/mol |
| SMILES | OCC([C@]1(CC[C@]2([C@@]3(CC=C4C=C(CC[C@@]4([C@]3(CC[C@]12C)[H])C)OCC)[H])[H])[H])=O |