| SpectraBase Compound ID | I2cJsinCkNm |
|---|---|
| InChI | InChI=1S/C20H31N3O2/c1-19-9-7-13(24)11-12(19)3-4-14-15-5-6-17(22-23-18(21)25)20(15,2)10-8-16(14)19/h3,13-16,24H,4-11H2,1-2H3,(H3,21,23,25)/b22-17+/t13-,14-,15-,16-,19-,20-/m0/s1 |
| InChIKey | YQFYQKHUSBMOSC-UYCRJBTFSA-N |
| Mol Weight | 345.49 g/mol |
| Molecular Formula | C20H31N3O2 |
| Exact Mass | 345.241627 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LOgokedEKzx |
|---|---|
| Name | 5-Androsten-3.beta.-ol-17-one, semicarbazone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 345.241627248 u |
| Formula | C20H31N3O2 |
| InChI | InChI=1S/C20H31N3O2/c1-19-9-7-13(24)11-12(19)3-4-14-15-5-6-17(22-23-18(21)25)20(15,2)10-8-16(14)19/h3,13-16,24H,4-11H2,1-2H3,(H3,21,23,25)/b22-17+/t13-,14-,15-,16-,19-,20-/m0/s1 |
| InChIKey | YQFYQKHUSBMOSC-UYCRJBTFSA-N |
| Molecular Weight | 345.487 g/mol |
| SMILES | [C@]1(CC[C@]2(C(C1)=CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC\C2=N\NC(N)=O)[H])C)[H])[H])C)(O)[H] |