| SpectraBase Compound ID | 5SN7RNfTv02 |
|---|---|
| InChI | InChI=1S/C21H30O4/c1-12(22)25-18-7-6-16-15-5-4-13-10-14(23)8-9-20(13,2)19(15)17(24)11-21(16,18)3/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16-,17?,18-,19+,20-,21-/m0/s1 |
| InChIKey | MDYUNGREFMTRFQ-XSBFNOJCSA-N |
| Mol Weight | 346.47 g/mol |
| Molecular Formula | C21H30O4 |
| Exact Mass | 346.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KmwabFknmNM |
|---|---|
| Name | Testosteron-11-ol 17-acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.214409442 u |
| Formula | C21H30O4 |
| InChI | InChI=1S/C21H30O4/c1-12(22)25-18-7-6-16-15-5-4-13-10-14(23)8-9-20(13,2)19(15)17(24)11-21(16,18)3/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16-,17?,18-,19+,20-,21-/m0/s1 |
| InChIKey | MDYUNGREFMTRFQ-XSBFNOJCSA-N |
| Molecular Weight | 346.467 g/mol |
| SMILES | C1(CC[C@]2(C(=C1)CC[C@@]1([C@@]2(C(C[C@]2([C@]1(CC[C@@]2(OC(=O)C)[H])[H])C)O)[H])[H])C)=O |