| SpectraBase Compound ID | GdErEoKtDgp |
|---|---|
| InChI | InChI=1S/C26H36O4S/c1-17-4-7-20(8-5-17)31(28,29)30-19-12-14-25(2)18(16-19)6-9-21-22-10-11-24(27)26(22,3)15-13-23(21)25/h4-5,7-8,18-19,21-23H,6,9-16H2,1-3H3/t18-,19-,21-,22-,23-,25-,26-/m0/s1 |
| InChIKey | HNTMKSKJRZRWKS-MWLOVLLCSA-N |
| Mol Weight | 444.6 g/mol |
| Molecular Formula | C26H36O4S |
| Exact Mass | 444.233431 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FeXKyepropA |
|---|---|
| Name | 3.beta.-4(-Methylbenzenesulfonyloxy)-5.alpha.-androstan-17-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 444.233430809 u |
| Formula | C26H36O4S |
| InChI | InChI=1S/C26H36O4S/c1-17-4-7-20(8-5-17)31(28,29)30-19-12-14-25(2)18(16-19)6-9-21-22-10-11-24(27)26(22,3)15-13-23(21)25/h4-5,7-8,18-19,21-23H,6,9-16H2,1-3H3/t18-,19-,21-,22-,23-,25-,26-/m0/s1 |
| InChIKey | HNTMKSKJRZRWKS-MWLOVLLCSA-N |
| Molecular Weight | 444.630 g/mol |
| SMILES | [C@@]1(C[C@]2([C@](CC1)([C@@]1([C@@](CC2)([C@]2([C@](CC1)(C(=O)CC2)C)[H])[H])[H])C)[H])(OS(=O)(=O)C1=CC=C(C=C1)C)[H] |