| SpectraBase Compound ID | HFoo0KoynqD |
|---|---|
| InChI | InChI=1S/C23H35NO5/c1-22-11-9-15(29-21(27)8-7-20(25)26)13-14(22)3-4-16-17-5-6-19(24-28)23(17,2)12-10-18(16)22/h14-18,28H,3-13H2,1-2H3,(H,25,26)/b24-19+/t14-,15-,16-,17-,18-,22-,23-/m0/s1 |
| InChIKey | XKAMRVKAOPCQFW-QPCWTHKUSA-N |
| Mol Weight | 405.5 g/mol |
| Molecular Formula | C23H35NO5 |
| Exact Mass | 405.251523 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2bg1fsSmjfK |
|---|---|
| Name | 17-Hydroxyimino-5alpha-androstan-3beta-yl hydrogen succinate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 405.251523226 u |
| Formula | C23H35NO5 |
| InChI | InChI=1S/C23H35NO5/c1-22-11-9-15(29-21(27)8-7-20(25)26)13-14(22)3-4-16-17-5-6-19(24-28)23(17,2)12-10-18(16)22/h14-18,28H,3-13H2,1-2H3,(H,25,26)/b24-19+/t14-,15-,16-,17-,18-,22-,23-/m0/s1 |
| InChIKey | XKAMRVKAOPCQFW-QPCWTHKUSA-N |
| Molecular Weight | 405.535 g/mol |
| SMILES | [C@]1(CC[C@]2([C@](C1)(CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC\C2=N\O)[H])C)[H])[H])[H])C)(OC(=O)CCC(O)=O)[H] |