| SpectraBase Compound ID | HCsfVlXE3qQ |
|---|---|
| InChI | InChI=1S/C26H34O4S/c1-17-4-7-20(8-5-17)31(28,29)30-24-11-10-22-21-9-6-18-16-19(27)12-14-25(18,2)23(21)13-15-26(22,24)3/h4-5,7-8,16,21-24H,6,9-15H2,1-3H3/t21-,22-,23-,24-,25-,26-/m0/s1 |
| InChIKey | LQBTZXLGHXAZEI-FRSCJGFNSA-N |
| Mol Weight | 442.6 g/mol |
| Molecular Formula | C26H34O4S |
| Exact Mass | 442.217781 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BR2ZfoysWt3 |
|---|---|
| Name | 17.beta.-(4-Methylbenzenesulfonyloxy)androst-4-en-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 442.217780745 u |
| Formula | C26H34O4S |
| InChI | InChI=1S/C26H34O4S/c1-17-4-7-20(8-5-17)31(28,29)30-24-11-10-22-21-9-6-18-16-19(27)12-14-25(18,2)23(21)13-15-26(22,24)3/h4-5,7-8,16,21-24H,6,9-15H2,1-3H3/t21-,22-,23-,24-,25-,26-/m0/s1 |
| InChIKey | LQBTZXLGHXAZEI-FRSCJGFNSA-N |
| Molecular Weight | 442.614 g/mol |
| SMILES | C1(C=C2[C@](CC1)([C@@]1([C@@](CC2)([C@]2([C@](CC1)([C@@](OS(=O)(=O)C1=CC=C(C)C=C1)(CC2)[H])C)[H])[H])[H])C)=O |