![(17E)-21-[(EZ)-(2-Dimethylaminoethoxy)imino]-5.beta.-pregn-17-ene-3.beta.,14.beta.-diol](/api/spectrum/2nnhNArwrVR/structure.png?h=300&w=458 "(17E)-21-[(EZ)-(2-Dimethylaminoethoxy)imino]-5.beta.-pregn-17-ene-3.beta.,14.beta.-diol")
| SpectraBase Compound ID | 19yLfblSdxE |
|---|---|
| InChI | InChI=1S/C25H42N2O3/c1-23-11-8-20(28)17-19(23)5-6-22-21(23)9-12-24(2)18(7-13-25(22,24)29)10-14-26-30-16-15-27(3)4/h10,14,19-22,28-29H,5-9,11-13,15-17H2,1-4H3/b18-10+,26-14+/t19-,20+,21?,22?,23+,24-,25+/m1/s1 |
| InChIKey | AXQOWEULGYIMJG-MFWTVOJMSA-N |
| Mol Weight | 418.6 g/mol |
| Molecular Formula | C25H42N2O3 |
| Exact Mass | 418.319543 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2nnhNArwrVR |
|---|---|
| Name | (17E)-21-[(EZ)-(2-Dimethylaminoethoxy)imino]-5.beta.-pregn-17-ene-3.beta.,14.beta.-diol |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H42N2O3 |
| InChI | InChI=1S/C25H42N2O3/c1-23-11-8-20(28)17-19(23)5-6-22-21(23)9-12-24(2)18(7-13-25(22,24)29)10-14-26-30-16-15-27(3)4/h10,14,19-22,28-29H,5-9,11-13,15-17H2,1-4H3/b18-10+,26-14+/t19-,20+,21?,22?,23+,24-,25+/m1/s1 |
| InChIKey | AXQOWEULGYIMJG-MFWTVOJMSA-N |
| Molecular Weight | 418.622 g/mol |
| SMILES | O[C@]1(CC[C@@]2(C3CC[C@]4([C@](CC\C4=C\C=N\OCCN(C)C)(C3CC[C@@]2(C1)[H])O)C)C)[H] |
| SPLASH | splash10-00di-9000100000-961c955c2fdc7235c276 |
| Source of Spectrum | F2-43-2345-47 |
| Wiley ID | 1600714 |