| SpectraBase Compound ID | 78zPwCSWQKm |
|---|---|
| InChI | InChI=1S/C13H20O3/c1-6-11(14)8(3)13-9(4)12(15)7(2)10(5)16-13/h7-8,10H,6H2,1-5H3/t7-,8+,10+/m1/s1 |
| InChIKey | AZAKUWBBRWFVEW-WEDXCCLWSA-N |
| Mol Weight | 224.3 g/mol |
| Molecular Formula | C13H20O3 |
| Exact Mass | 224.141245 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | C1lRgHgcxVN |
|---|---|
| Name | (2S,3R,1'S)-Stegobinone |
| Alternate Name(s) | (2S,3R)-2,3-Dihydro-6-[(1'R)-1'-methyl-2'-oxobutyl]-2,3,5-trimethyl-4H-pyran-4-one (2S,3R)-2,3,5-trimethyl-6-[(1R)-1-methyl-2-oxobutyl]-2,3-dihydro-4H-pyran-4-one (2S,3R)-2,3,5-trimethyl-6-[(2R)-3-oxopentan-2-yl]-2,3-dihydropyran-4-one (2S,3R)-2,3,5-trimethyl-6-[(1R)-1-methyl-2-oxo-butyl]-2,3-dihydropyran-4-one (2S,3R)-2,3,5-trimethyl-6-[(2R)-3-oxidanylidenepentan-2-yl]-2,3-dihydropyran-4-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H20O3 |
| InChI | InChI=1S/C13H20O3/c1-6-11(14)8(3)13-9(4)12(15)7(2)10(5)16-13/h7-8,10H,6H2,1-5H3/t7-,8+,10+/m1/s1 |
| InChIKey | AZAKUWBBRWFVEW-WEDXCCLWSA-N |
| Molecular Weight | 224.300 g/mol |
| SMILES | C1(=C(C(=O)[C@@]([C@@](O1)(C)[H])(C)[H])C)[C@](C(=O)CC)(C)[H] |
| SPLASH | splash10-066r-5910000000-464551b1c8f57f0bcebb |
| Source of Spectrum | LQ-1992-3237-0 |
| Wiley ID | 1225276 |