| SpectraBase Compound ID | 5Dz066AGBVR |
|---|---|
| InChI | InChI=1S/C26H32F5NO2/c1-25-9-7-13(33)11-12(25)3-4-14-15-5-6-17(26(15,2)10-8-16(14)25)32-24(34)18-19(27)21(29)23(31)22(30)20(18)28/h12-17,33H,3-11H2,1-2H3,(H,32,34)/t12-,13-,14+,15+,16+,17-,25?,26?/m1/s1 |
| InChIKey | ICWXLMLAWDEZDY-VCYCFAKNSA-N |
| Mol Weight | 485.5 g/mol |
| Molecular Formula | C26H32F5NO2 |
| Exact Mass | 485.23532 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kf4ayqZqcLQ |
|---|---|
| Name | N-(3-alpha-Hydroxy-5-beta-androstan-17-alpha-yl)-pentafluorobenzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 485.235320087 u |
| Formula | C26H32F5NO2 |
| InChI | InChI=1S/C26H32F5NO2/c1-25-9-7-13(33)11-12(25)3-4-14-15-5-6-17(26(15,2)10-8-16(14)25)32-24(34)18-19(27)21(29)23(31)22(30)20(18)28/h12-17,33H,3-11H2,1-2H3,(H,32,34)/t12-,13-,14+,15+,16+,17-,25?,26?/m1/s1 |
| InChIKey | ICWXLMLAWDEZDY-VCYCFAKNSA-N |
| Molecular Weight | 485.539 g/mol |
| SMILES | [C@@]1(NC(=O)C2=C(F)C(F)=C(F)C(F)=C2F)(C2(CC[C@]3([C@@](CC[C@@]4(C[C@@](CCC34C)(O)[H])[H])([C@@]2(CC1)[H])[H])[H])C)[H] |