| SpectraBase Compound ID | HVDV73dJnam |
|---|---|
| InChI | InChI=1S/C20H27F3O3/c1-19-9-8-14-13-5-3-12(26-18(25)20(21,22)23)10-11(13)2-4-15(14)16(19)6-7-17(19)24/h11-16H,2-10H2,1H3 |
| InChIKey | JKDOQRSXHHGUHD-UHFFFAOYSA-N |
| Mol Weight | 372.43 g/mol |
| Molecular Formula | C20H27F3O3 |
| Exact Mass | 372.191229 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 90bVH6niz71 |
|---|---|
| Name | 19-Norepietiocholanolone trifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 372.191229215 u |
| Formula | C20H27F3O3 |
| InChI | InChI=1S/C20H27F3O3/c1-19-9-8-14-13-5-3-12(26-18(25)20(21,22)23)10-11(13)2-4-15(14)16(19)6-7-17(19)24/h11-16H,2-10H2,1H3 |
| InChIKey | JKDOQRSXHHGUHD-UHFFFAOYSA-N |
| Molecular Weight | 372.428 g/mol |
| SMILES | C1CC2C3C(C4C(CC3)(C(CC4)=O)C)CCC2CC1OC(C(F)(F)F)=O |