| SpectraBase Compound ID | Zw7C25iREi |
|---|---|
| InChI | InChI=1S/C25H36O5/c1-14(2)23(29)30-13-21(28)19-8-7-18-17-6-5-15-11-16(26)9-10-24(15,3)22(17)20(27)12-25(18,19)4/h11,14,17-20,22,27H,5-10,12-13H2,1-4H3/t17-,18-,19+,20-,22+,24-,25-/m0/s1 |
| InChIKey | LYQRKAWAEQGQLX-FDTRFOINSA-N |
| Mol Weight | 416.6 g/mol |
| Molecular Formula | C25H36O5 |
| Exact Mass | 416.256274 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 99Z96P9coFY |
|---|---|
| Name | Corticosterone, 2-methylpropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 416.256274254 u |
| Formula | C25H36O5 |
| InChI | InChI=1S/C25H36O5/c1-14(2)23(29)30-13-21(28)19-8-7-18-17-6-5-15-11-16(26)9-10-24(15,3)22(17)20(27)12-25(18,19)4/h11,14,17-20,22,27H,5-10,12-13H2,1-4H3/t17-,18-,19+,20-,22+,24-,25-/m0/s1 |
| InChIKey | LYQRKAWAEQGQLX-FDTRFOINSA-N |
| Molecular Weight | 416.558 g/mol |
| SMILES | [C@]12([C@]([C@]3([C@@]([C@@]4(C(=CC(=O)CC4)CC3)C)([C@](C1)(O)[H])[H])[H])(CC[C@@]2(C(=O)COC(C(C)C)=O)[H])[H])C |