| SpectraBase Compound ID | 8kLOyzLJ9z7 |
|---|---|
| InChI | InChI=1S/C15H18Br2O4/c1-7-9-10-8(14(3,20)12(19)21-10)4-5-13(9,2)6-15(16,17)11(7)18/h8,10,20H,4-6H2,1-3H3/t8-,10+,13+,14-/m1/s1 |
| InChIKey | FRXTTZWIXOOIJD-DURYJLSESA-N |
| Mol Weight | 422.11 g/mol |
| Molecular Formula | C15H18Br2O4 |
| Exact Mass | 419.957185 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6euh7aAK68j |
|---|---|
| Name | 2,2-Dibromo-2,3-dihydro-11.beta.-hydroxy-.alpha.-santonin |
| Alternate Name(s) | (3R,3aR,5aS,9bS)-7,7-Dibromo-3-hydroxy-3,5a,9-trimethyl-3a,5,5a,6,7,9b-hexahydro-3H,4H-naphtho[1,2-b]furan-2,8-dione (3R,3aR,5aS,9bS)-7,7-dibromo-3-hydroxy-3,5a,9-trimethyl-3a,5,5a,6,7,9b-hexahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H18Br2O4 |
| InChI | InChI=1S/C15H18Br2O4/c1-7-9-10-8(14(3,20)12(19)21-10)4-5-13(9,2)6-15(16,17)11(7)18/h8,10,20H,4-6H2,1-3H3/t8-,10+,13+,14-/m1/s1 |
| InChIKey | FRXTTZWIXOOIJD-DURYJLSESA-N |
| Molecular Weight | 422.113 g/mol |
| SMILES | O[C@@]1([C@]2([C@@](C3=C(C(=O)C(C[C@@]3(CC2)C)(Br)Br)C)(OC1=O)[H])[H])C |
| SPLASH | splash10-0006-9004000000-1d4bbb9a544a633429e4 |
| Source of Spectrum | F-50-5445-9 |
| Wiley ID | 1377745 |