| SpectraBase Compound ID | JxEdzOtxSb0 |
|---|---|
| InChI | InChI=1S/C25H34OS/c1-24-14-12-19(27-18-6-4-3-5-7-18)16-17(24)8-9-20-21-10-11-23(26)25(21,2)15-13-22(20)24/h3-7,17,19-22H,8-16H2,1-2H3/t17?,19-,20+,21+,22+,24+,25+/m1/s1 |
| InChIKey | BVXAAARNXOBCLZ-FJGAPTTASA-N |
| Mol Weight | 382.6 g/mol |
| Molecular Formula | C25H34OS |
| Exact Mass | 382.233037 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JiiO8MDikPO |
|---|---|
| Name | 3.alpha.-(Phenylthio)androstan-17-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 382.233036888 u |
| Formula | C25H34OS |
| InChI | InChI=1S/C25H34OS/c1-24-14-12-19(27-18-6-4-3-5-7-18)16-17(24)8-9-20-21-10-11-23(26)25(21,2)15-13-22(20)24/h3-7,17,19-22H,8-16H2,1-2H3/t17?,19-,20+,21+,22+,24+,25+/m1/s1 |
| InChIKey | BVXAAARNXOBCLZ-FJGAPTTASA-N |
| Molecular Weight | 382.606 g/mol |
| SMILES | [C@@]12([C@@]3([C@@]([C@@]4(CCC([C@]4(CC3)C)=O)[H])([H])CCC2C[C@](SC=2C=CC=CC2)(CC1)[H])[H])C |