| SpectraBase Compound ID | 8iZuH5sBknM |
|---|---|
| InChI | InChI=1S/C25H38O5/c1-5-29-23(28)14-17-13-18(27)12-16-6-7-19-20-8-9-22(30-15(2)26)24(20,3)11-10-21(19)25(16,17)4/h16-17,19-22H,5-14H2,1-4H3/t16-,17+,19-,20-,21-,22-,24-,25+/m0/s1 |
| InChIKey | RZBMZIXMBFBECV-CWUKBNOUSA-N |
| Mol Weight | 418.6 g/mol |
| Molecular Formula | C25H38O5 |
| Exact Mass | 418.271924 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HLpvrqmELWC |
|---|---|
| Name | 17.beta.-Acetoxy-1.alpha.-carboethoxymethyl-5.alpha.-androstan-3-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 418.271924319 u |
| Formula | C25H38O5 |
| InChI | InChI=1S/C25H38O5/c1-5-29-23(28)14-17-13-18(27)12-16-6-7-19-20-8-9-22(30-15(2)26)24(20,3)11-10-21(19)25(16,17)4/h16-17,19-22H,5-14H2,1-4H3/t16-,17+,19-,20-,21-,22-,24-,25+/m0/s1 |
| InChIKey | RZBMZIXMBFBECV-CWUKBNOUSA-N |
| Molecular Weight | 418.574 g/mol |
| SMILES | C1(C[C@@]([C@]2([C@](C1)(CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2(OC(C)=O)[H])[H])C)[H])[H])[H])C)(CC(=O)OCC)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.977645 |