![16.alpha.-Cyano-3.beta.-[D9]-cyclopentyloxypregn-5-en-20-one](/api/spectrum/JdMyuK2WvwM/structure.png?h=300&w=458 "16.alpha.-Cyano-3.beta.-[D9]-cyclopentyloxypregn-5-en-20-one")
| SpectraBase Compound ID | 2dwRHL43C1H |
|---|---|
| InChI | InChI=1S/C27H39NO2/c1-17(29)25-18(16-28)14-24-22-9-8-19-15-21(30-20-6-4-5-7-20)10-12-26(19,2)23(22)11-13-27(24,25)3/h8,18,20-25H,4-7,9-15H2,1-3H3/t18-,21-,22+,23-,24-,25?,26-,27-/m0/s1/i4D2,5D2,6D2,7D2,20D |
| InChIKey | QBQAHSSLFCOQBF-VZKRUBCCSA-N |
| Mol Weight | 418.67 g/mol |
| Molecular Formula | C27H302D9NO2 |
| Exact Mass | 418.35457 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JdMyuK2WvwM |
|---|---|
| Name | 16.alpha.-Cyano-3.beta.-[D9]-cyclopentyloxypregn-5-en-20-one |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H30D9NO2 |
| InChI | InChI=1S/C27H39NO2/c1-17(29)25-18(16-28)14-24-22-9-8-19-15-21(30-20-6-4-5-7-20)10-12-26(19,2)23(22)11-13-27(24,25)3/h8,18,20-25H,4-7,9-15H2,1-3H3/t18-,21-,22+,23-,24-,25?,26-,27-/m0/s1/i4D2,5D2,6D2,7D2,20D |
| InChIKey | QBQAHSSLFCOQBF-VZKRUBCCSA-N |
| Molecular Weight | 418.669 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@](C1C(=O)C)(C#N)[H])[H])C |
| SPLASH | splash10-053r-7905000000-db3d5c4ca7e48a933398 |
| Source of Spectrum | BS-5-110-0 |
| Wiley ID | 1373404 |