| SpectraBase Compound ID | EnRIG5mCfH9 |
|---|---|
| InChI | InChI=1S/C19H28O3/c1-18-8-7-15-13(14(18)5-6-16(18)21)4-3-11-9-12(20)10-17(22)19(11,15)2/h11,13-15,17,22H,3-10H2,1-2H3/t11-,13-,14-,15-,17-,18-,19-/m0/s1 |
| InChIKey | YCZHNKMIZDECIP-QDVJHEOESA-N |
| Mol Weight | 304.43 g/mol |
| Molecular Formula | C19H28O3 |
| Exact Mass | 304.203845 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8plW5qpQGvW |
|---|---|
| Name | 1Alpha-hydroxy-5alpha-androstane-3,17-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.203844759 u |
| Formula | C19H28O3 |
| InChI | InChI=1S/C19H28O3/c1-18-8-7-15-13(14(18)5-6-16(18)21)4-3-11-9-12(20)10-17(22)19(11,15)2/h11,13-15,17,22H,3-10H2,1-2H3/t11-,13-,14-,15-,17-,18-,19-/m0/s1 |
| InChIKey | YCZHNKMIZDECIP-QDVJHEOESA-N |
| SMILES | O[C@]1(CC(C[C@]2([C@]1([C@@]1([C@@](CC2)([C@]2([C@](CC1)(C(CC2)=O)C)[H])[H])[H])C)[H])=O)[H] |