| SpectraBase Compound ID | AzGTpdsfN7S |
|---|---|
| InChI | InChI=1S/C22H34/c1-14(2)17-8-9-19-16-6-7-18-15(3)10-12-22(18,5)20(16)11-13-21(17,19)4/h9,14,16-17,20H,6-8,10-13H2,1-5H3/t16-,17+,20-,21+,22-/m0/s1 |
| InChIKey | FDSKHMSJBRPWIM-OQZLWFJBSA-N |
| Mol Weight | 298.5 g/mol |
| Molecular Formula | C22H34 |
| Exact Mass | 298.266051 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8E8uVdZNiQP |
|---|---|
| Name | (+/-)-3,20-dimethyl-A-nor-pregna-3(5),14-diene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.266051095 u |
| Formula | C22H34 |
| InChI | InChI=1S/C22H34/c1-14(2)17-8-9-19-16-6-7-18-15(3)10-12-22(18,5)20(16)11-13-21(17,19)4/h9,14,16-17,20H,6-8,10-13H2,1-5H3/t16-,17+,20-,21+,22-/m0/s1 |
| InChIKey | FDSKHMSJBRPWIM-OQZLWFJBSA-N |
| SMILES | C=12[C@]([C@@]3([C@@](CC2)(C=2[C@](CC3)([C@](CC2)(C(C)C)[H])C)[H])[H])(C)CCC1C |