| SpectraBase Compound ID | 9FObc6Ijx53 |
|---|---|
| InChI | InChI=1S/C23H34O5/c1-22-9-7-16(26)11-15(22)3-4-17-18-5-6-20(23(18,2)10-8-19(17)22)28-21(27)14(12-24)13-25/h11,14,17-20,24-25H,3-10,12-13H2,1-2H3/t17?,18?,19?,20-,22-,23-/m0/s1 |
| InChIKey | JFEUXSKGSSSZGI-GHHLVXKOSA-N |
| Mol Weight | 390.5 g/mol |
| Molecular Formula | C23H34O5 |
| Exact Mass | 390.240624 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7ulEPYyjr0p |
|---|---|
| Name | (3'-oxo-4'-Androsten-17.beta.-yl) 3-hydroxy-2-(hydroxymethyl)propionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 390.240624190 u |
| Formula | C23H34O5 |
| InChI | InChI=1S/C23H34O5/c1-22-9-7-16(26)11-15(22)3-4-17-18-5-6-20(23(18,2)10-8-19(17)22)28-21(27)14(12-24)13-25/h11,14,17-20,24-25H,3-10,12-13H2,1-2H3/t17?,18?,19?,20-,22-,23-/m0/s1 |
| InChIKey | JFEUXSKGSSSZGI-GHHLVXKOSA-N |
| Molecular Weight | 390.520 g/mol |
| SMILES | [C@@]12(C(=CC(CC2)=O)CCC2C3CC[C@@]([C@]3(CCC12)C)(OC(C(CO)CO)=O)[H])C |