| SpectraBase Compound ID | 1FhhOnphmP2 |
|---|---|
| InChI | InChI=1S/C22H32O2/c1-4-20(24)19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h8,10,14-17,23H,4-7,9,11-13H2,1-3H3/t14-,15-,16-,17-,21-,22-/m0/s1 |
| InChIKey | GURIFMDDTFMROV-YGQHUFLISA-N |
| Mol Weight | 328.5 g/mol |
| Molecular Formula | C22H32O2 |
| Exact Mass | 328.24023 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KWGACUm2y69 |
|---|---|
| Name | Ethyl 3beta-hydroxy-5alpha-androsta-9(11),16-dien-17-yl ketone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.240230268 u |
| Formula | C22H32O2 |
| InChI | InChI=1S/C22H32O2/c1-4-20(24)19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h8,10,14-17,23H,4-7,9,11-13H2,1-3H3/t14-,15-,16-,17-,21-,22-/m0/s1 |
| InChIKey | GURIFMDDTFMROV-YGQHUFLISA-N |
| Molecular Weight | 328.496 g/mol |
| SMILES | O[C@@]1(C[C@]2([C@](CC1)(C=1[C@@](CC2)([C@]2([C@](CC1)(C(=CC2)C(=O)CC)C)[H])[H])C)[H])[H] |