| SpectraBase Compound ID | EppK7H7U0xw |
|---|---|
| InChI | InChI=1S/C20H22O4/c1-12(2)3-6-17-18(22)8-4-13-9-14(11-24-20(13)17)16-7-5-15(21)10-19(16)23/h3-5,7-8,10,14,21-23H,6,9,11H2,1-2H3/t14-/m1/s1 |
| InChIKey | HJYNNFAPXVIBTD-CQSZACIVSA-N |
| Mol Weight | 326.39 g/mol |
| Molecular Formula | C20H22O4 |
| Exact Mass | 326.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BLbC8FReHjU |
|---|---|
| Name | Preglabridin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.151809184 u |
| Formula | C20H22O4 |
| InChI | InChI=1S/C20H22O4/c1-12(2)3-6-17-18(22)8-4-13-9-14(11-24-20(13)17)16-7-5-15(21)10-19(16)23/h3-5,7-8,10,14,21-23H,6,9,11H2,1-2H3/t14-/m1/s1 |
| InChIKey | HJYNNFAPXVIBTD-CQSZACIVSA-N |
| Molecular Weight | 326.392 g/mol |
| SMILES | C1(=CC=C2C(=C1CC=C(C)C)OC[C@@](C2)(C1=C(C=C(C=C1)O)O)[H])O |