| SpectraBase Compound ID | 40NUhZv57lk |
|---|---|
| InChI | InChI=1S/C21H30O7S/c1-20-8-7-13(22)9-12(20)3-4-14-15-5-6-16(18(24)11-28-29(25,26)27)21(15,2)10-17(23)19(14)20/h9,14-17,19,23H,3-8,10-11H2,1-2H3,(H,25,26,27)/t14-,15-,16+,17-,19+,20-,21-/m0/s1 |
| InChIKey | DWEMVKUDQCSHGT-HJTSIMOOSA-N |
| Mol Weight | 426.52 g/mol |
| Molecular Formula | C21H30O7S |
| Exact Mass | 426.171224 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5wtw0Gfqyfn |
|---|---|
| Name | Corticosterone 21-sulfate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 426.171224473 u |
| Formula | C21H30O7S |
| InChI | InChI=1S/C21H30O7S/c1-20-8-7-13(22)9-12(20)3-4-14-15-5-6-16(18(24)11-28-29(25,26)27)21(15,2)10-17(23)19(14)20/h9,14-17,19,23H,3-8,10-11H2,1-2H3,(H,25,26,27)/t14-,15-,16+,17-,19+,20-,21-/m0/s1 |
| InChIKey | DWEMVKUDQCSHGT-HJTSIMOOSA-N |
| Molecular Weight | 426.524 g/mol |
| SMILES | O[C@]1(C[C@@]2([C@@](C(COS(O)(=O)=O)=O)(CC[C@]2([C@@]2(CCC=3[C@@]([C@@]12[H])(CCC(C3)=O)C)[H])[H])[H])C)[H] |