![17.beta.-[(N-amyl)butyramido]-4-methyl-4-aza-5.alpha.-androstan-3-one](/api/spectrum/LGyVJ35rZ0E/structure.png?h=300&w=458 "17.beta.-[(N-amyl)butyramido]-4-methyl-4-aza-5.alpha.-androstan-3-one")
| SpectraBase Compound ID | ByZa87NRScx |
|---|---|
| InChI | InChI=1S/C28H48N2O2/c1-6-8-9-10-19(7-2)26(32)29-23-13-12-21-20-11-14-24-28(4,18-16-25(31)30(24)5)22(20)15-17-27(21,23)3/h19-24H,6-18H2,1-5H3,(H,29,32)/t19?,20-,21-,22-,23-,24+,27-,28+/m0/s1 |
| InChIKey | BCDBIEGSXLBCPA-BSHYZTLKSA-N |
| Mol Weight | 444.7 g/mol |
| Molecular Formula | C28H48N2O2 |
| Exact Mass | 444.371579 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LGyVJ35rZ0E |
|---|---|
| Name | 17.beta.-[(N-amyl)butyramido]-4-methyl-4-aza-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 | 444.371578792 u |
| Formula | C28H48N2O2 |
| InChI | InChI=1S/C28H48N2O2/c1-6-8-9-10-19(7-2)26(32)29-23-13-12-21-20-11-14-24-28(4,18-16-25(31)30(24)5)22(20)15-17-27(21,23)3/h19-24H,6-18H2,1-5H3,(H,29,32)/t19?,20-,21-,22-,23-,24+,27-,28+/m0/s1 |
| InChIKey | BCDBIEGSXLBCPA-BSHYZTLKSA-N |
| Molecular Weight | 444.704 g/mol |
| SMILES | [C@@]12([C@](N(C)C(CC2)=O)(CC[C@]2([C@@]3(CC[C@@]([C@]3(CC[C@]12[H])C)(NC(=O)C(CC)CCCCC)[H])[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.910347 |