| SpectraBase Compound ID | Ii1YgZn8FJt |
|---|---|
| InChI | InChI=1S/C28H38O3/c1-27-16-14-21(31-26(30)13-8-19-6-4-3-5-7-19)18-20(27)9-10-22-23-11-12-25(29)28(23,2)17-15-24(22)27/h3-7,18,21-25,29H,8-17H2,1-2H3/t21-,22-,23-,24-,25-,27-,28-/m0/s1 |
| InChIKey | MWPMSCZNMFXJKR-ARZCWHKOSA-N |
| Mol Weight | 422.6 g/mol |
| Molecular Formula | C28H38O3 |
| Exact Mass | 422.282095 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 11FiDLuRMMi |
|---|---|
| Name | Testosterone 3-phenylpropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 422.282095081 u |
| Formula | C28H38O3 |
| InChI | InChI=1S/C28H38O3/c1-27-16-14-21(31-26(30)13-8-19-6-4-3-5-7-19)18-20(27)9-10-22-23-11-12-25(29)28(23,2)17-15-24(22)27/h3-7,18,21-25,29H,8-17H2,1-2H3/t21-,22-,23-,24-,25-,27-,28-/m0/s1 |
| InChIKey | MWPMSCZNMFXJKR-ARZCWHKOSA-N |
| Molecular Weight | 422.609 g/mol |
| SMILES | O[C@@]1([C@]2(CC[C@@]3([C@@]4(C(CC[C@]3([C@@]2(CC1)[H])[H])=C[C@](CC4)(OC(CCC=1C=CC=CC1)=O)[H])C)[H])C)[H] |