| SpectraBase Compound ID | BDVM2HMBhFa |
|---|---|
| InChI | InChI=1S/C23H34O4/c1-14(25)27-16-8-10-22(2)15(12-16)4-5-17-18-6-7-20(21(26)13-24)23(18,3)11-9-19(17)22/h6,15-17,19-20,24H,4-5,7-13H2,1-3H3/t15-,16-,17?,19?,20+,22-,23-/m0/s1 |
| InChIKey | YIFKPCWKFXZSMC-LVZUNKAPSA-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 | IDoZgpcgSCV |
|---|---|
| Name | 3.beta.-Acetoxy-21-hydroxy-5.alpha.-preg-14-en-20-one |
| 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(25)27-16-8-10-22(2)15(12-16)4-5-17-18-6-7-20(21(26)13-24)23(18,3)11-9-19(17)22/h6,15-17,19-20,24H,4-5,7-13H2,1-3H3/t15-,16-,17?,19?,20+,22-,23-/m0/s1 |
| InChIKey | YIFKPCWKFXZSMC-LVZUNKAPSA-N |
| Molecular Weight | 374.521 g/mol |
| SMILES | C1=2[C@@]([C@@](C(=O)CO)(CC2)[H])(CCC2[C@]3(CC[C@](OC(=O)C)(C[C@@]3(CCC12)[H])[H])C)C |