| SpectraBase Compound ID | 1zkfUlYoVDs |
|---|---|
| InChI | InChI=1S/C22H32O3S/c1-13(23)25-19-6-5-16-20-17(8-10-22(16,19)3)21(2)9-7-15(24)11-14(21)12-18(20)26-4/h11,16-20H,5-10,12H2,1-4H3/t16-,17-,18+,19-,20-,21-,22-/m0/s1 |
| InChIKey | OMQHVXNTQAMVKT-DVFOPUQSSA-N |
| Mol Weight | 376.6 g/mol |
| Molecular Formula | C22H32O3S |
| Exact Mass | 376.207216 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I0sUPBdisLZ |
|---|---|
| Name | 7.alpha.-Methylthiotestosterone acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.207216061 u |
| Formula | C22H32O3S |
| InChI | InChI=1S/C22H32O3S/c1-13(23)25-19-6-5-16-20-17(8-10-22(16,19)3)21(2)9-7-15(24)11-14(21)12-18(20)26-4/h11,16-20H,5-10,12H2,1-4H3/t16-,17-,18+,19-,20-,21-,22-/m0/s1 |
| InChIKey | OMQHVXNTQAMVKT-DVFOPUQSSA-N |
| Molecular Weight | 376.555 g/mol |
| SMILES | CC(=O)O[C@@]1([C@@]2(C)CC[C@@]3([C@@]4(C)CCC(=O)C=C4C[C@@](SC)([C@@]3([H])[C@]2([H])CC1)[H])[H])[H] |