| SpectraBase Compound ID | IVeylIrY3Qv |
|---|---|
| InChI | InChI=1S/C27H39NOSi/c1-26-14-12-21(29-30(3,4)5)17-20(26)8-9-22-24-11-10-23(19-7-6-16-28-18-19)27(24,2)15-13-25(22)26/h6-8,10,16,18,21-22,24-25H,9,11-15,17H2,1-5H3/t21-,22-,24-,25-,26-,27+/m0/s1 |
| InChIKey | FFNJNISFFVNPPZ-MVVRIGEBSA-N |
| Mol Weight | 421.7 g/mol |
| Molecular Formula | C27H39NOSi |
| Exact Mass | 421.280091 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AhxPIjF24fM |
|---|---|
| Name | Abiraterone, tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 421.280091414 u |
| Formula | C27H39NOSi |
| InChI | InChI=1S/C27H39NOSi/c1-26-14-12-21(29-30(3,4)5)17-20(26)8-9-22-24-11-10-23(19-7-6-16-28-18-19)27(24,2)15-13-25(22)26/h6-8,10,16,18,21-22,24-25H,9,11-15,17H2,1-5H3/t21-,22-,24-,25-,26-,27+/m0/s1 |
| InChIKey | FFNJNISFFVNPPZ-MVVRIGEBSA-N |
| Molecular Weight | 421.700 g/mol |
| SMILES | C[C@]12[C@]([C@]3([C@](CC2)([C@]2(C)C(=CC3)C[C@](CC2)(O[Si](C)(C)C)[H])[H])[H])(CC=C1C1=CC=CN=C1)[H] |