| SpectraBase Compound ID | EINRETZO3rM |
|---|---|
| InChI | InChI=1S/C15H20O4/c1-8-10(16)5-7-14(2)6-4-9-12(11(8)14)19-13(17)15(9,3)18/h9,12,18H,4-7H2,1-3H3/t9-,12+,14+,15-/m1/s1 |
| InChIKey | PKSNDJUCHSGBKJ-WNPSNZDDSA-N |
| Mol Weight | 264.32 g/mol |
| Molecular Formula | C15H20O4 |
| Exact Mass | 264.136159 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GlkLIG9M3Gc |
|---|---|
| Name | 1,2-Dihydro-11.beta.-hydroxy-.alpha.-santonin |
| Alternate Name(s) | (3R,3aR,5aS,9bS)-3-Hydroxy-3,5a,9-trimethyl-3a,5,5a,6,7,9b-hexahydro-3H,4H-naphtho[1,2-b]furan-2,8-dione (3S,3aS,5aS,9R,9bS)-9-hydroxy-3,5a,9-trimethyl-3a,5,5a,9,9a,9b-hexahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H20O4 |
| InChI | InChI=1S/C15H20O4/c1-8-10(16)5-7-14(2)6-4-9-12(11(8)14)19-13(17)15(9,3)18/h9,12,18H,4-7H2,1-3H3/t9-,12+,14+,15-/m1/s1 |
| InChIKey | PKSNDJUCHSGBKJ-WNPSNZDDSA-N |
| Molecular Weight | 264.321 g/mol |
| SMILES | O[C@@]1([C@]2([C@@](C3=C(C(=O)CC[C@]3(C)CC2)C)(OC1=O)[H])[H])C |
| SPLASH | splash10-0002-0090000000-8d3a8a6b7e604f94b584 |
| Source of Spectrum | F-50-5445-7 |
| Wiley ID | 1268058 |