| SpectraBase Compound ID | F3uiIcZnS3b |
|---|---|
| InChI | InChI=1S/C22H35NO5/c1-13(24)28-15-7-9-21(2)14(11-15)5-6-16-17(21)8-10-22(3,20(26)27-4)18(16)12-19(23)25/h14-18H,5-12H2,1-4H3,(H2,23,25)/t14-,15-,16+,17-,18?,21-,22-/m0/s1 |
| InChIKey | UGWHKAIHQPENIO-IPRWWCNFSA-N |
| Mol Weight | 393.5 g/mol |
| Molecular Formula | C22H35NO5 |
| Exact Mass | 393.251523 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JLq9iplanqs |
|---|---|
| Name | Methyl 3.beta.-acetoxy-16-carbamoyl-16,17-seco-5.alpha.-an-drostan-17-oate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 393.251523226 u |
| Formula | C22H35NO5 |
| InChI | InChI=1S/C22H35NO5/c1-13(24)28-15-7-9-21(2)14(11-15)5-6-16-17(21)8-10-22(3,20(26)27-4)18(16)12-19(23)25/h14-18H,5-12H2,1-4H3,(H2,23,25)/t14-,15-,16+,17-,18?,21-,22-/m0/s1 |
| InChIKey | UGWHKAIHQPENIO-IPRWWCNFSA-N |
| Molecular Weight | 393.524 g/mol |
| SMILES | [C@]12([C@@]3([C@@](C(CC(=O)N)[C@](CC3)(C(=O)OC)C)([H])CC[C@]1(C[C@@](OC(=O)C)(CC2)[H])[H])[H])C |