| SpectraBase Compound ID | FlHh06usNz6 |
|---|---|
| InChI | InChI=1S/C20H34OS/c1-4-13-6-8-17-16-7-5-14-11-15(21)9-10-19(14,2)18(16)22-12-20(13,17)3/h13-18,21H,4-12H2,1-3H3/t13?,14-,15-,16?,17?,18-,19+,20?/m1/s1 |
| InChIKey | CAQMREXJUBOUEW-VRGBHMEZSA-N |
| Mol Weight | 322.6 g/mol |
| Molecular Formula | C20H34OS |
| Exact Mass | 322.233037 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | H0bl7bJBwuB |
|---|---|
| Name | 11-Thia-5.beta.,9.beta.-pregnan-3.alpha.-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.233036888 u |
| Formula | C20H34OS |
| InChI | InChI=1S/C20H34OS/c1-4-13-6-8-17-16-7-5-14-11-15(21)9-10-19(14,2)18(16)22-12-20(13,17)3/h13-18,21H,4-12H2,1-3H3/t13?,14-,15-,16?,17?,18-,19+,20?/m1/s1 |
| InChIKey | CAQMREXJUBOUEW-VRGBHMEZSA-N |
| Molecular Weight | 322.551 g/mol |
| SMILES | [C@]12([C@@]3(SCC4(C(C3CC[C@@]1(C[C@@](CC2)(O)[H])[H])CCC4CC)C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.900549 |