| SpectraBase Compound ID | LqTNh5lYCGJ |
|---|---|
| InChI | InChI=1S/C20H28O5/c1-11(2)10-15(21)25-20(5)14-8-9-19(4,23)13-7-6-12(3)16(13)17(14)24-18(20)22/h6,10,13-14,16-17,23H,7-9H2,1-5H3 |
| InChIKey | MBBNABOQOMJIBY-UHFFFAOYSA-N |
| Mol Weight | 348.44 g/mol |
| Molecular Formula | C20H28O5 |
| Exact Mass | 348.193674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7SBNNDlogbz |
|---|---|
| Name | Fegolide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.193673997 u |
| Formula | C20H28O5 |
| InChI | InChI=1S/C20H28O5/c1-11(2)10-15(21)25-20(5)14-8-9-19(4,23)13-7-6-12(3)16(13)17(14)24-18(20)22/h6,10,13-14,16-17,23H,7-9H2,1-5H3 |
| InChIKey | MBBNABOQOMJIBY-UHFFFAOYSA-N |
| Molecular Weight | 348.439 g/mol |
| SMILES | C12OC(=O)C(C2CCC(C2C1C(=CC2)C)(O)C)(OC(C=C(C)C)=O)C |