| SpectraBase Compound ID | 5Frt7vzNpdr |
|---|---|
| InChI | InChI=1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22,26H,6,8-12,14H2,1-2H3/t18-,19-,21-,22-,23-,24+/m0/s1 |
| InChIKey | GZOSMCIZMLWJML-VJLLXTKPSA-N |
| Mol Weight | 349.52 g/mol |
| Molecular Formula | C24H31NO |
| Exact Mass | 349.240565 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ICCuS40vpVC |
|---|---|
| Name | Abiraterone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 349.240564621 u |
| Formula | C24H31NO |
| InChI | InChI=1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22,26H,6,8-12,14H2,1-2H3/t18-,19-,21-,22-,23-,24+/m0/s1 |
| InChIKey | GZOSMCIZMLWJML-VJLLXTKPSA-N |
| Molecular Weight | 349.518 g/mol |
| SMILES | C[C@]12[C@]([C@]3([C@](CC2)([C@]2(C)C(=CC3)C[C@](CC2)(O)[H])[H])[H])(CC=C1C1=CC=CN=C1)[H] |