| SpectraBase Compound ID | FrkhYNH5n79 |
|---|---|
| InChI | InChI=1S/C23H34O4/c1-13(24)18-7-8-19-17-6-5-15-11-16(27-14(2)25)9-10-22(15,3)21(17)20(26)12-23(18,19)4/h5,16-21,26H,6-12H2,1-4H3/t16-,17-,18+,19-,20-,21+,22-,23+/m0/s1 |
| InChIKey | SSUSCRSHSMZPFU-JOEARXDISA-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 | AoQ0NSJCc2L |
|---|---|
| Name | 3Beta,11BETA-dihydroxypregn-5-en-20-one, 3-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/c1-13(24)18-7-8-19-17-6-5-15-11-16(27-14(2)25)9-10-22(15,3)21(17)20(26)12-23(18,19)4/h5,16-21,26H,6-12H2,1-4H3/t16-,17-,18+,19-,20-,21+,22-,23+/m0/s1 |
| InChIKey | SSUSCRSHSMZPFU-JOEARXDISA-N |
| Molecular Weight | 374.521 g/mol |
| SMILES | O[C@]1(C[C@@]2([C@](CC[C@]2([C@@]2(CC=C3C[C@](CC[C@@]3([C@@]12[H])C)(OC(C)=O)[H])[H])[H])(C(C)=O)[H])C)[H] |