| SpectraBase Compound ID | DP3DqK4VgsX |
|---|---|
| InChI | InChI=1S/C15H18O4/c1-8-10(16)5-7-14(2)6-4-9-12(11(8)14)19-13(17)15(9,3)18/h5,7,9,12,18H,4,6H2,1-3H3/t9-,12+,14+,15-/m1/s1 |
| InChIKey | GYBXUSIMYWFSFV-WNPSNZDDSA-N |
| Mol Weight | 262.3 g/mol |
| Molecular Formula | C15H18O4 |
| Exact Mass | 262.120509 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8CfjdRj8CIw |
|---|---|
| Name | 11.beta.-Hydroxy-.alpha.-santonin |
| Alternate Name(s) | (3R,3aR,5aS,9bS)-3-Hydroxy-3,5a,9-trimethyl-3a,5,5a,9b-tetrahydro-3H,4H-naphtho[1,2-b]furan-2,8-dione (9bS)-9b-hydroxy-3,5a,9-trimethyl-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione (3R,3aR,5aS,9bS)-3-hydroxy-3,5a,9-trimethyl-3a,4,5,9b-tetrahydrobenzo[g][1]benzofuran-2,8-dione (3R,3aR,5aS,9bS)-3-hydroxy-3,5a,9-trimethyl-3a,4,5,9b-tetrahydrobenzo[g]benzofuran-2,8-dione (3R,3aR,5aS,9bS)-3,5a,9-trimethyl-3-oxidanyl-3a,4,5,9b-tetrahydrobenzo[g][1]benzofuran-2,8-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H18O4 |
| InChI | InChI=1S/C15H18O4/c1-8-10(16)5-7-14(2)6-4-9-12(11(8)14)19-13(17)15(9,3)18/h5,7,9,12,18H,4,6H2,1-3H3/t9-,12+,14+,15-/m1/s1 |
| InChIKey | GYBXUSIMYWFSFV-WNPSNZDDSA-N |
| Molecular Weight | 262.305 g/mol |
| SMILES | O[C@@]1([C@]2([C@@](C3=C(C(=O)C=C[C@]3(C)CC2)C)(OC1=O)[H])[H])C |
| SPLASH | splash10-00di-0920000000-9d84655741e266c20dad |
| Source of Spectrum | F-50-5446-10 |
| Wiley ID | 1265937 |