| SpectraBase Compound ID | JbOTWYgEKof |
|---|---|
| InChI | InChI=1S/C25H36O6/c1-15(26)25(30)13-10-20-18-5-4-16-14-17(31-22(29)7-6-21(27)28)8-11-23(16,2)19(18)9-12-24(20,25)3/h4,17-20,30H,5-14H2,1-3H3,(H,27,28)/t17-,18+,19-,20-,23-,24-,25-/m0/s1 |
| InChIKey | FKQBRVQSUWHXFH-HIYRCXEDSA-N |
| Mol Weight | 432.6 g/mol |
| Molecular Formula | C25H36O6 |
| Exact Mass | 432.251189 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CsVtS4v0fQp |
|---|---|
| Name | 17-Hydroxypregnenolone hemisuccinate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 432.251188873 u |
| Formula | C25H36O6 |
| InChI | InChI=1S/C25H36O6/c1-15(26)25(30)13-10-20-18-5-4-16-14-17(31-22(29)7-6-21(27)28)8-11-23(16,2)19(18)9-12-24(20,25)3/h4,17-20,30H,5-14H2,1-3H3,(H,27,28)/t17-,18+,19-,20-,23-,24-,25-/m0/s1 |
| InChIKey | FKQBRVQSUWHXFH-HIYRCXEDSA-N |
| Molecular Weight | 432.557 g/mol |
| SMILES | OC(CCC(O[C@@]1(CC=2[C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)(C(C)=O)O)(CC3)C)[H])(CC2)[H])[H])(CC1)C)[H])=O)=O |