| SpectraBase Compound ID | 4lrrhRKsMMK |
|---|---|
| InChI | InChI=1S/C24H30O3/c1-4-6-22(25)27-17-8-10-18-16(15-17)7-9-20-19(18)11-13-23(3)21(20)12-14-24(23,26)5-2/h2,8,10,15,19-21,26H,4,6-7,9,11-14H2,1,3H3 |
| InChIKey | FIPNBJWTSLURCK-UHFFFAOYSA-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 | BVk7XLuq5kO |
|---|---|
| Name | 17.alpha.-Ethynylestradiol, 3-butyrate |
| 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/c1-4-6-22(25)27-17-8-10-18-16(15-17)7-9-20-19(18)11-13-23(3)21(20)12-14-24(23,26)5-2/h2,8,10,15,19-21,26H,4,6-7,9,11-14H2,1,3H3 |
| InChIKey | FIPNBJWTSLURCK-UHFFFAOYSA-N |
| Molecular Weight | 366.501 g/mol |
| SMILES | CC12CCC3C(C2CCC1(O)C#C)CCC1=C3C=CC(=C1)OC(CCC)=O |