| SpectraBase Compound ID | IICdIH4Vx5x |
|---|---|
| InChI | InChI=1S/C21H34O/c1-4-14-9-11-17-16-10-8-15-7-5-6-12-20(15,2)19(16)18(22)13-21(14,17)3/h14-17,19H,4-13H2,1-3H3/t14-,15+,16?,17?,19+,20-,21+/m0/s1/i13D,19D/t13-,14-,15+,16?,17?,19+,20-,21+ |
| InChIKey | DIRFKRKDYVZWDV-MMAKFNRDSA-N |
| Mol Weight | 304.5 g/mol |
| Molecular Formula | C21H322D2O |
| Exact Mass | 304.273519 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 57QLq3Sqbg |
|---|---|
| Name | 9.alpha.,12.alpha.-D2-5.alpha.-pregnan-11-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H32D2O |
| InChI | InChI=1S/C21H34O/c1-4-14-9-11-17-16-10-8-15-7-5-6-12-20(15,2)19(16)18(22)13-21(14,17)3/h14-17,19H,4-13H2,1-3H3/t14-,15+,16?,17?,19+,20-,21+/m0/s1/i13D,19D/t13-,14-,15+,16?,17?,19+,20-,21+ |
| InChIKey | DIRFKRKDYVZWDV-MMAKFNRDSA-N |
| Molecular Weight | 304.514 g/mol |
| SMILES | [C@@]12(C(C3CC[C@@]4([C@]([C@]3(C([C@@]2([2D])[H])=O)[2D])(C)CCCC4)[H])CC[C@@]1(CC)[H])C |
| SPLASH | splash10-052f-9710000000-60989ae28d6b44e9ba2e |
| Source of Spectrum | C-85-2097-9 |
| Wiley ID | 1305274 |