| SpectraBase Compound ID | 7KW4egNTGDZ |
|---|---|
| InChI | InChI=1S/C21H32O4/c1-12(22)25-18-11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,3)19(18)24/h13-18,23H,4-11H2,1-3H3/t13-,14-,15?,16?,17?,18-,20-,21-/m0/s1 |
| InChIKey | RIDVFZRVVXJEMU-LTBRJRAASA-N |
| Mol Weight | 348.5 g/mol |
| Molecular Formula | C21H32O4 |
| Exact Mass | 348.23006 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Gh8ulFeVaJY |
|---|---|
| Name | 3.beta.-Hydroxy-17-oxo-5.alpha.-androstan-16.beta.-yl acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.230059506 u |
| Formula | C21H32O4 |
| InChI | InChI=1S/C21H32O4/c1-12(22)25-18-11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,3)19(18)24/h13-18,23H,4-11H2,1-3H3/t13-,14-,15?,16?,17?,18-,20-,21-/m0/s1 |
| InChIKey | RIDVFZRVVXJEMU-LTBRJRAASA-N |
| Molecular Weight | 348.483 g/mol |
| SMILES | [C@@]12(C(C3CC[C@@]4([C@@](C3CC2)(CC[C@](O)(C4)[H])C)[H])C[C@@](C1=O)(OC(=O)C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955669 |