| SpectraBase Compound ID | 4N7u4VK6lm5 |
|---|---|
| InChI | InChI=1S/C26H36O3S/c1-25-13-12-19-17(18(25)10-11-24(25)28)9-8-16-14-20(27)23(15-26(16,19)2)30-22-7-5-4-6-21(22)29-3/h4-7,16-20,23,27H,8-15H2,1-3H3/t16?,17-,18-,19-,20-,23-,25-,26-/m0/s1 |
| InChIKey | RHHGGGKVAQXSDD-XPYHSUGGSA-N |
| Mol Weight | 428.6 g/mol |
| Molecular Formula | C26H36O3S |
| Exact Mass | 428.238516 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GOTKOqYnK5D |
|---|---|
| Name | 3.alpha.-Hydroxy-2.beta.-(2'-methoxyphenyl)thioandrostan-17-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H36O3S |
| InChI | InChI=1S/C26H36O3S/c1-25-13-12-19-17(18(25)10-11-24(25)28)9-8-16-14-20(27)23(15-26(16,19)2)30-22-7-5-4-6-21(22)29-3/h4-7,16-20,23,27H,8-15H2,1-3H3/t16?,17-,18-,19-,20-,23-,25-,26-/m0/s1 |
| InChIKey | RHHGGGKVAQXSDD-XPYHSUGGSA-N |
| Molecular Weight | 428.631 g/mol |
| SMILES | O[C@]1(CC2[C@@]([C@@]3([C@@]([C@@]4(CCC([C@]4(CC3)C)=O)[H])([H])CC2)[H])(C[C@@]1(Sc1c(OC)cccc1)[H])C)[H] |
| SPLASH | splash10-0006-0900000000-701c2863913d258c8557 |
| Source of Spectrum | F4-41-4040-6c |
| Wiley ID | 1711819 |