| SpectraBase Compound ID | 1tX0SamG0Qa |
|---|---|
| InChI | InChI=1S/C27H42O3/c1-4-5-6-7-8-9-25(29)30-24-13-12-22-21-11-10-19-18-20(28)14-16-26(19,2)23(21)15-17-27(22,24)3/h18,21-24H,4-17H2,1-3H3 |
| InChIKey | KCQOWSKVHVGCCF-UHFFFAOYSA-N |
| Mol Weight | 414.6 g/mol |
| Molecular Formula | C27H42O3 |
| Exact Mass | 414.313395 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Vj0qw4zK0d |
|---|---|
| Name | Epitestosterone, octanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 414.313395209 u |
| Formula | C27H42O3 |
| InChI | InChI=1S/C27H42O3/c1-4-5-6-7-8-9-25(29)30-24-13-12-22-21-11-10-19-18-20(28)14-16-26(19,2)23(21)15-17-27(22,24)3/h18,21-24H,4-17H2,1-3H3 |
| InChIKey | KCQOWSKVHVGCCF-UHFFFAOYSA-N |
| Molecular Weight | 414.630 g/mol |
| SMILES | CC12C(C3C(CC2)C2(C(CC3)=CC(CC2)=O)C)CCC1OC(CCCCCCC)=O |