| SpectraBase Compound ID | 6crFEht3oSu |
|---|---|
| InChI | InChI=1S/C23H34O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h12,17-21,26H,4-11,13H2,1-3H3/t17-,18-,19-,20+,21+,22-,23-/m0/s1 |
| InChIKey | BSZYCIIVDDNXPJ-IXEBNVAOSA-N |
| Mol Weight | 374.5 g/mol |
| Molecular Formula | C23H34O4 |
| Exact Mass | 374.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JRRIbWzdj5T |
|---|---|
| Name | 20Beta,21-dihydroxypregn-4-en-3-one, 21-acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 374.245709571 u |
| Formula | C23H34O4 |
| InChI | InChI=1S/C23H34O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h12,17-21,26H,4-11,13H2,1-3H3/t17-,18-,19-,20+,21+,22-,23-/m0/s1 |
| InChIKey | BSZYCIIVDDNXPJ-IXEBNVAOSA-N |
| Molecular Weight | 374.521 g/mol |
| SMILES | O[C@@]([C@]1(CC[C@]2([C@@]3(CCC4=CC(CC[C@@]4([C@]3(CC[C@]12C)[H])C)=O)[H])[H])[H])(COC(C)=O)[H] |