| SpectraBase Compound ID | FsIwGRIX7F1 |
|---|---|
| InChI | InChI=1S/C23H32O5/c1-22-11-9-15(28-21(27)8-7-20(25)26)13-14(22)3-4-16-17-5-6-19(24)23(17,2)12-10-18(16)22/h3,15-18H,4-13H2,1-2H3,(H,25,26)/t15-,16-,17-,18-,22-,23-/m0/s1 |
| InChIKey | UQHKLJJUIGLUKP-MPQCOTKXSA-N |
| Mol Weight | 388.5 g/mol |
| Molecular Formula | C23H32O5 |
| Exact Mass | 388.224974 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3QTqcxCJtB9 |
|---|---|
| Name | Dehydroepiandrosterone hemisuccinate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 388.224974125 u |
| Formula | C23H32O5 |
| InChI | InChI=1S/C23H32O5/c1-22-11-9-15(28-21(27)8-7-20(25)26)13-14(22)3-4-16-17-5-6-19(24)23(17,2)12-10-18(16)22/h3,15-18H,4-13H2,1-2H3,(H,25,26)/t15-,16-,17-,18-,22-,23-/m0/s1 |
| InChIKey | UQHKLJJUIGLUKP-MPQCOTKXSA-N |
| Molecular Weight | 388.504 g/mol |
| SMILES | OC(CCC(O[C@]1(CC[C@@]2([C@@]3([C@]([C@]4([C@](CC3)(C(CC4)=O)C)[H])(CC=C2C1)[H])[H])C)[H])=O)=O |