![Obtusadione [8,12-Dihydroxydielmentha-5,9-diene-7,11-dione]](/api/spectrum/1vCrRNtSbNc/structure.png?h=300&w=458 "Obtusadione [8,12-Dihydroxydielmentha-5,9-diene-7,11-dione]")
| SpectraBase Compound ID | SyncJTBkpo |
|---|---|
| InChI | InChI=1S/C20H30O2/c1-13(2)14-11-20(12-15(14)21)17(22)8-7-16-18(3,4)9-6-10-19(16,20)5/h11,13,16H,6-10,12H2,1-5H3/t16?,19-,20-/m0/s1 |
| InChIKey | SXAMVLLELNWDFC-RFFXKOPCSA-N |
| Mol Weight | 302.46 g/mol |
| Molecular Formula | C20H30O2 |
| Exact Mass | 302.22458 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1vCrRNtSbNc |
|---|---|
| Name | Obtusadione [8,12-Dihydroxydielmentha-5,9-diene-7,11-dione] |
| Alternate Name(s) | (1S,8aS)-5,5,8a-trimethyl-2'-propan-2-ylspiro[3,4,4a,6,7,8-hexahydronaphthalene-1,4'-cyclopent-2-ene]-1',2-dione (4S,8'aS)-2-isopropyl-5',5',8'a-trimethyl-spiro[cyclopent-2-ene-4,1'-decalin]-1,2'-dione (1S,8aS)-5,5,8a-trimethyl-2'-propan-2-yl-spiro[3,4,4a,6,7,8-hexahydronaphthalene-1,4'-cyclopent-2-ene]-1',2-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H30O2 |
| InChI | InChI=1S/C20H30O2/c1-13(2)14-11-20(12-15(14)21)17(22)8-7-16-18(3,4)9-6-10-19(16,20)5/h11,13,16H,6-10,12H2,1-5H3/t16?,19-,20-/m0/s1 |
| InChIKey | SXAMVLLELNWDFC-RFFXKOPCSA-N |
| Molecular Weight | 302.458 g/mol |
| SMILES | [C@]12([C@@]3(C(C(CCC3)(C)C)CCC1=O)C)C=C(C(C)C)C(C2)=O |
| SPLASH | splash10-0229-9101000000-b11dadeffe35a8b0ea13 |
| Source of Spectrum | E2-52-766-2 |
| Wiley ID | 1556450 |