![(Z)-16-{[Acetyl-(2'-hydroxyethyl)amino]methylene}-5.alpha.-androstane-3.beta.,17.beta.-diol](/api/spectrum/AjXtCXYYPRx/structure.png?h=300&w=458 "(Z)-16-{[Acetyl-(2'-hydroxyethyl)amino]methylene}-5.alpha.-androstane-3.beta.,17.beta.-diol")
| SpectraBase Compound ID | 7HavhW7W9Rx |
|---|---|
| InChI | InChI=1S/C24H39NO4/c1-15(27)25(10-11-26)14-16-12-21-19-5-4-17-13-18(28)6-8-23(17,2)20(19)7-9-24(21,3)22(16)29/h14,17-22,26,28-29H,4-13H2,1-3H3/b16-14-/t17-,18-,19+,20-,21-,22-,23-,24-/m0/s1 |
| InChIKey | JIYOBSYAGDZNJR-FMOKZQPXSA-N |
| Mol Weight | 405.6 g/mol |
| Molecular Formula | C24H39NO4 |
| Exact Mass | 405.287909 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AjXtCXYYPRx |
|---|---|
| Name | (Z)-16-{[Acetyl-(2'-hydroxyethyl)amino]methylene}-5.alpha.-androstane-3.beta.,17.beta.-diol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 405.287908736 u |
| Formula | C24H39NO4 |
| InChI | InChI=1S/C24H39NO4/c1-15(27)25(10-11-26)14-16-12-21-19-5-4-17-13-18(28)6-8-23(17,2)20(19)7-9-24(21,3)22(16)29/h14,17-22,26,28-29H,4-13H2,1-3H3/b16-14-/t17-,18-,19+,20-,21-,22-,23-,24-/m0/s1 |
| InChIKey | JIYOBSYAGDZNJR-FMOKZQPXSA-N |
| Molecular Weight | 405.579 g/mol |
| SMILES | [C@@]1(\C(C[C@]2([C@@]3(CC[C@]4(C[C@](CC[C@@]4([C@]3(CC[C@]12C)[H])C)(O)[H])[H])[H])[H])=C/N(C(=O)C)CCO)(O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.801655 |