| SpectraBase Compound ID | KEWpt6Q0UHw |
|---|---|
| InChI | InChI=1S/C24H30O3/c1-5-24(26)13-11-21-20-8-6-16-14-17(27-22(25)15(2)3)7-9-18(16)19(20)10-12-23(21,24)4/h1,7,9,14-15,19-21,26H,6,8,10-13H2,2-4H3/t19-,20-,21+,23+,24+/m1/s1 |
| InChIKey | CPFFFTFDOSMIOM-LBQHQWNISA-N |
| Mol Weight | 366.5 g/mol |
| Molecular Formula | C24H30O3 |
| Exact Mass | 366.219495 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ClC1rdWYNz2 |
|---|---|
| Name | 17.alpha.-Ethynylestradiol, 3-(2-methylpropionate) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 366.219494823 u |
| Formula | C24H30O3 |
| InChI | InChI=1S/C24H30O3/c1-5-24(26)13-11-21-20-8-6-16-14-17(27-22(25)15(2)3)7-9-18(16)19(20)10-12-23(21,24)4/h1,7,9,14-15,19-21,26H,6,8,10-13H2,2-4H3/t19-,20-,21+,23+,24+/m1/s1 |
| InChIKey | CPFFFTFDOSMIOM-LBQHQWNISA-N |
| Molecular Weight | 366.501 g/mol |
| SMILES | C1(=CC=C2C(=C1)CC[C@]1([C@@]3(CC[C@]([C@@]3(C)CC[C@]21[H])(C#C)O)[H])[H])OC(C(C)C)=O |