| SpectraBase Compound ID | Kh391W2VgUK |
|---|---|
| InChI | InChI=1S/C17H24O5/c1-9-5-6-12(22-11(3)18)13-14(19)17(8-16(9,13)4)10(2)7-21-15(17)20/h9,12-14,19H,2,5-8H2,1,3-4H3/t9-,12-,13+,14+,16+,17+/m0/s1 |
| InChIKey | JEVVAMLQVWGXGO-CYBHKFSRSA-N |
| Mol Weight | 308.37 g/mol |
| Molecular Formula | C17H24O5 |
| Exact Mass | 308.162374 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LlXACFRkcXu |
|---|---|
| Name | Bakkenolide-X |
| Alternate Name(s) | Acetic acid [(2R,3R,3aS,4S,7S,7aR)-3-hydroxy-7,7a-dimethyl-4'-methylene-2'-oxo-4-spiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]yl] ester [(2R,3R,3aS,4S,7S,7aR)-3-hydroxy-7,7a-dimethyl-4'-methylidene-2'-oxospiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-4-yl] acetate [(2R,3R,3aS,4S,7S,7aR)-3-hydroxy-7,7a-dimethyl-4'-methylene-2'-oxo-spiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-tetrahydrofuran]-4-yl] acetate [(2R,3R,3aS,4S,7S,7aR)-7,7a-dimethyl-4'-methylidene-3-oxidanyl-2'-oxidanylidene-spiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-4-yl] ethanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H24O5 |
| InChI | InChI=1S/C17H24O5/c1-9-5-6-12(22-11(3)18)13-14(19)17(8-16(9,13)4)10(2)7-21-15(17)20/h9,12-14,19H,2,5-8H2,1,3-4H3/t9-,12-,13+,14+,16+,17+/m0/s1 |
| InChIKey | JEVVAMLQVWGXGO-CYBHKFSRSA-N |
| Molecular Weight | 308.374 g/mol |
| SMILES | O[C@@]1([C@]2([C@@](OC(=O)C)(CC[C@@]([C@]2(C[C@]11C(OCC1=C)=O)C)(C)[H])[H])[H])[H] |
| SPLASH | splash10-0a4r-0910000000-3d13054af80a504fd93e |
| Source of Spectrum | E2-47-381-27 |
| Wiley ID | 1554837 |