| SpectraBase Compound ID | C4YYmWcskCY |
|---|---|
| InChI | InChI=1S/C25H35NO2/c1-24-14-7-6-10-20(24)26(16-17-8-4-3-5-9-17)23(28)22-18-11-12-21(27)25(18,2)15-13-19(22)24/h3-5,8-9,18-22,27H,6-7,10-16H2,1-2H3/t18-,19-,20?,21-,22-,24+,25-/m0/s1 |
| InChIKey | XXNLNQZUOJCQFN-OXNCCWIZSA-N |
| Mol Weight | 381.6 g/mol |
| Molecular Formula | C25H35NO2 |
| Exact Mass | 381.266779 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FozYWEJMKiL |
|---|---|
| Name | 6-Azaandrostan-7-one, 6-benzyl-17.beta.-hydroxy- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 381.266779369 u |
| Formula | C25H35NO2 |
| InChI | InChI=1S/C25H35NO2/c1-24-14-7-6-10-20(24)26(16-17-8-4-3-5-9-17)23(28)22-18-11-12-21(27)25(18,2)15-13-19(22)24/h3-5,8-9,18-22,27H,6-7,10-16H2,1-2H3/t18-,19-,20?,21-,22-,24+,25-/m0/s1 |
| InChIKey | XXNLNQZUOJCQFN-OXNCCWIZSA-N |
| Molecular Weight | 381.560 g/mol |
| SMILES | C1(N(C2[C@@]([C@]3(CC[C@]4([C@]([C@]13[H])(CC[C@@]4(O)[H])[H])C)[H])(CCCC2)C)CC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.876899 |