![17.beta.-Hydroxy-7-oxoandrost-5-en-3.beta.-yl acetate - o-[3'-(methoxycarbonyl)propyl]oxime](/api/spectrum/6CQJYEX4oIx/structure.png?h=300&w=458 "17.beta.-Hydroxy-7-oxoandrost-5-en-3.beta.-yl acetate - o-[3'-(methoxycarbonyl)propyl]oxime")
| SpectraBase Compound ID | 4hTs6SlUxaw |
|---|---|
| InChI | InChI=1S/C26H39NO6/c1-16(28)33-18-9-11-25(2)17(14-18)15-21(27-32-13-5-6-23(30)31-4)24-19-7-8-22(29)26(19,3)12-10-20(24)25/h15,18-20,22,24,29H,5-14H2,1-4H3/b27-21-/t18-,19?,20?,22-,24?,25-,26-/m0/s1 |
| InChIKey | XGFCJDWOWKGBEV-CBNGXLBMSA-N |
| Mol Weight | 461.6 g/mol |
| Molecular Formula | C26H39NO6 |
| Exact Mass | 461.277738 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6CQJYEX4oIx |
|---|---|
| Name | 17.beta.-Hydroxy-7-oxoandrost-5-en-3.beta.-yl acetate - o-[3'-(methoxycarbonyl)propyl]oxime |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 461.277737974 u |
| Formula | C26H39NO6 |
| InChI | InChI=1S/C26H39NO6/c1-16(28)33-18-9-11-25(2)17(14-18)15-21(27-32-13-5-6-23(30)31-4)24-19-7-8-22(29)26(19,3)12-10-20(24)25/h15,18-20,22,24,29H,5-14H2,1-4H3/b27-21-/t18-,19?,20?,22-,24?,25-,26-/m0/s1 |
| InChIKey | XGFCJDWOWKGBEV-CBNGXLBMSA-N |
| Molecular Weight | 461.599 g/mol |
| SMILES | [C@]12(C(=C\C(C3C4CC[C@@]([C@]4(CCC23)C)(O)[H])=N\OCCCC(=O)OC)C[C@@](OC(=O)C)(CC1)[H])C |