| SpectraBase Compound ID | JTmfEVplahL |
|---|---|
| InChI | InChI=1S/C22H30O5/c1-13(2)18-17(26-21(25)15-7-9-16(23)10-8-15)12-14(3)6-5-11-22(4)20(27-22)19(18)24/h6-10,13,17-20,23-24H,5,11-12H2,1-4H3/b14-6+/t17-,18+,19+,20-,22-/m0/s1 |
| InChIKey | TUSFMTSATFETGD-UGJMDIAESA-N |
| Mol Weight | 374.48 g/mol |
| Molecular Formula | C22H30O5 |
| Exact Mass | 374.209324 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6qMUs0hcHsM |
|---|---|
| Name | 8-(p-Hydroxybenzoyl)-shiromodiol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H30O5 |
| InChI | InChI=1S/C22H30O5/c1-13(2)18-17(26-21(25)15-7-9-16(23)10-8-15)12-14(3)6-5-11-22(4)20(27-22)19(18)24/h6-10,13,17-20,23-24H,5,11-12H2,1-4H3/b14-6+/t17-,18+,19+,20-,22-/m0/s1 |
| InChIKey | TUSFMTSATFETGD-UGJMDIAESA-N |
| Molecular Weight | 374.477 g/mol |
| SMILES | O[C@@]1([C@@]([C@@](OC(c2ccc(cc2)O)=O)(C\C(=C\CC[C@@]2(O[C@@]12[H])C)C)[H])(C(C)C)[H])[H] |
| SPLASH | splash10-00g0-0910000000-f9af705f7709a1dcdb4d |
| Source of Spectrum | X2-50-834-9 |
| Wiley ID | 1602432 |