![16.alpha.-Cyano-3.beta.-[D9]-cyclopentyloxypregn-5-en-20-one methyl oxime](/api/spectrum/AkgzAyfgmx8/structure.png?h=300&w=458 "16.alpha.-Cyano-3.beta.-[D9]-cyclopentyloxypregn-5-en-20-one methyl oxime")
| SpectraBase Compound ID | 4XP8te3UNIz |
|---|---|
| InChI | InChI=1S/C28H42N2O2/c1-18(30-31-4)26-19(17-29)15-25-23-10-9-20-16-22(32-21-7-5-6-8-21)11-13-27(20,2)24(23)12-14-28(25,26)3/h9,19,21-26H,5-8,10-16H2,1-4H3/b30-18+/t19-,22-,23+,24-,25-,26-,27-,28-/m0/s1/i5D2,6D2,7D2,8D2,21D |
| InChIKey | VNKYEJXKLIVQFO-HOOAJZQTSA-N |
| Mol Weight | 447.7 g/mol |
| Molecular Formula | C28H332D9N2O2 |
| Exact Mass | 447.381119 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AkgzAyfgmx8 |
|---|---|
| Name | 16.alpha.-Cyano-3.beta.-[D9]-cyclopentyloxypregn-5-en-20-one methyl oxime |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H33D9N2O2 |
| InChI | InChI=1S/C28H42N2O2/c1-18(30-31-4)26-19(17-29)15-25-23-10-9-20-16-22(32-21-7-5-6-8-21)11-13-27(20,2)24(23)12-14-28(25,26)3/h9,19,21-26H,5-8,10-16H2,1-4H3/b30-18+/t19-,22-,23+,24-,25-,26-,27-,28-/m0/s1/i5D2,6D2,7D2,8D2,21D |
| InChIKey | VNKYEJXKLIVQFO-HOOAJZQTSA-N |
| Molecular Weight | 447.711 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC2(C(C([2D])([2D])C(C2([2D])[2D])([2D])[2D])([2D])[2D])[2D])(C4)[H])C)[H])(C[C@]([C@@]1(\C(=N\OC)C)[H])(C#N)[H])[H])C |
| SPLASH | splash10-0a59-5609000000-cdb99b738b91463a6dff |
| Source of Spectrum | BS-5-111-0 |
| Wiley ID | 1384286 |