| SpectraBase Compound ID | BmtGA3hl03S |
|---|---|
| InChI | InChI=1S/C15H20O4/c1-8-3-6-12-10(7-16)4-5-11-9(2)14(17)19-13(11)15(8,12)18/h7-8,10-13,18H,2-6H2,1H3/t8-,10-,11-,12+,13-,15-/m0/s1 |
| InChIKey | GBYMGJOWUHIERM-IQFPROFDSA-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 | 5ZdXcfgs2Zu |
|---|---|
| Name | 5-Hydroxy-14-oxoguaiana-1(13)-en-12,6-olide |
| Alternate Name(s) | (3aS,6R,6aR,9S,9aS,9bS)-9a-hydroxy-9-methyl-3-methylene-2-oxo-4,5,6,6a,7,8,9,9b-octahydro-3aH-azuleno[4,5-b]furan-6-carboxaldehyde (3aS,6R,6aR,9S,9aS,9bS)-9a-hydroxy-9-methyl-3-methylidene-2-oxo-4,5,6,6a,7,8,9,9b-octahydro-3aH-azuleno[4,5-b]furan-6-carbaldehyde (3aS,6R,6aR,9S,9aS,9bS)-9a-hydroxy-9-methyl-3-methylene-2-oxo-4,5,6,6a,7,8,9,9b-octahydro-3aH-azuleno[4,5-b]furan-6-carbaldehyde (3aS,6R,6aR,9S,9aS,9bS)-9-methyl-3-methylidene-9a-oxidanyl-2-oxidanylidene-4,5,6,6a,7,8,9,9b-octahydro-3aH-azuleno[4,5-b]furan-6-carbaldehyde |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H20O4 |
| InChI | InChI=1S/C15H20O4/c1-8-3-6-12-10(7-16)4-5-11-9(2)14(17)19-13(11)15(8,12)18/h7-8,10-13,18H,2-6H2,1H3/t8-,10-,11-,12+,13-,15-/m0/s1 |
| InChIKey | GBYMGJOWUHIERM-IQFPROFDSA-N |
| Molecular Weight | 264.321 g/mol |
| SMILES | O[C@]12[C@]3(OC(=O)C([C@@]3(CC[C@]([C@]1(CC[C@@]2(C)[H])[H])(C=O)[H])[H])=C)[H] |
| SPLASH | splash10-000i-0090000000-00d2fe993f3e8d8e9122 |
| Source of Spectrum | K1-2003-3974-26 |
| Wiley ID | 1521616 |