| SpectraBase Compound ID | JcmMm7JuZqx |
|---|---|
| InChI | InChI=1S/C21H32O2/c1-13-4-7-17-16-6-5-14-12-15(22)8-10-20(14,2)18(16)9-11-21(17,3)19(13)23/h12-13,16-19,23H,4-11H2,1-3H3/t13-,16?,17?,18?,19+,20+,21+/m1/s1 |
| InChIKey | XITCESODKUFIBB-ZODIUPBPSA-N |
| Mol Weight | 316.5 g/mol |
| Molecular Formula | C21H32O2 |
| Exact Mass | 316.24023 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | izfpF4YV0O |
|---|---|
| Name | 17.alpha.,.beta.-Hydroxy-17.alpha.-methyl-D-homoandrost-4-en-3-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.240230268 u |
| Formula | C21H32O2 |
| InChI | InChI=1S/C21H32O2/c1-13-4-7-17-16-6-5-14-12-15(22)8-10-20(14,2)18(16)9-11-21(17,3)19(13)23/h12-13,16-19,23H,4-11H2,1-3H3/t13-,16?,17?,18?,19+,20+,21+/m1/s1 |
| InChIKey | XITCESODKUFIBB-ZODIUPBPSA-N |
| Molecular Weight | 316.485 g/mol |
| SMILES | [C@@]12(C(C3CCC=4[C@@](C3CC2)(CCC(=O)C4)C)CC[C@]([C@@]1(O)[H])(C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.939383 |