| SpectraBase Compound ID | 2M9FzDuziJT |
|---|---|
| InChI | InChI=1S/C23H36O5/c1-14(24)28-20-7-6-16-15-12-19(25)18-13-23(26-4,27-5)11-10-21(18,2)17(15)8-9-22(16,20)3/h15-18,20H,6-13H2,1-5H3/t15-,16-,17-,18+,20-,21+,22-/m0/s1 |
| InChIKey | VPJRLEBJJUIIII-FXEQNPHBSA-N |
| Mol Weight | 392.5 g/mol |
| Molecular Formula | C23H36O5 |
| Exact Mass | 392.256274 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EZcuqXnMQ6o |
|---|---|
| Name | 17.beta.-Acetoxy-3,3-dimethoxy-5.alpha.-androstan-6-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 392.256274254 u |
| Formula | C23H36O5 |
| InChI | InChI=1S/C23H36O5/c1-14(24)28-20-7-6-16-15-12-19(25)18-13-23(26-4,27-5)11-10-21(18,2)17(15)8-9-22(16,20)3/h15-18,20H,6-13H2,1-5H3/t15-,16-,17-,18+,20-,21+,22-/m0/s1 |
| InChIKey | VPJRLEBJJUIIII-FXEQNPHBSA-N |
| Molecular Weight | 392.536 g/mol |
| SMILES | [C@]12(CC(CC[C@@]2([C@@]2([C@@](CC1=O)([C@]1([C@]([C@](CC1)(OC(=O)C)[H])(C)CC2)[H])[H])[H])C)(OC)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.930018 |