| SpectraBase Compound ID | IvouB9iC2jc |
|---|---|
| InChI | InChI=1S/C22H34O3/c1-14(23)25-22(4)12-9-19-17-6-5-15-13-16(24)7-10-20(15,2)18(17)8-11-21(19,22)3/h15,17-19H,5-13H2,1-4H3/t15?,17-,18+,19+,20+,21+,22?/m1/s1 |
| InChIKey | YKEIELWRIARSQU-OEIUXZHXSA-N |
| Mol Weight | 346.5 g/mol |
| Molecular Formula | C22H34O3 |
| Exact Mass | 346.250795 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DyQDL6Xir7j |
|---|---|
| Name | 17-Methyl-3-oxoandrostan-17-yl acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.250794952 u |
| Formula | C22H34O3 |
| InChI | InChI=1S/C22H34O3/c1-14(23)25-22(4)12-9-19-17-6-5-15-13-16(24)7-10-20(15,2)18(17)8-11-21(19,22)3/h15,17-19H,5-13H2,1-4H3/t15?,17-,18+,19+,20+,21+,22?/m1/s1 |
| InChIKey | YKEIELWRIARSQU-OEIUXZHXSA-N |
| Molecular Weight | 346.511 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CCC4[C@@]([C@]3(CC2)[H])(CCC(=O)C4)C)[H])(CCC1(OC(=O)C)C)[H])C |