| SpectraBase Compound ID | RSELszs9c1 |
|---|---|
| InChI | InChI=1S/C17H22O6/c1-9-12-5-4-11(8-22-10(2)18)17(21)7-6-13(19)16(17,3)14(12)23-15(9)20/h11-12,14,21H,1,4-8H2,2-3H3/t11-,12+,14-,16+,17-/m1/s1 |
| InChIKey | DKYQYDPTWYXAFT-BEANVFONSA-N |
| Mol Weight | 322.36 g/mol |
| Molecular Formula | C17H22O6 |
| Exact Mass | 322.141638 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1yN6I4vg3sS |
|---|---|
| Name | Tetraneurin A |
| CAS Registry Number | 22621-72-3 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H22O6 |
| InChI | InChI=1S/C17H22O6/c1-9-12-5-4-11(8-22-10(2)18)17(21)7-6-13(19)16(17,3)14(12)23-15(9)20/h11-12,14,21H,1,4-8H2,2-3H3/t11-,12+,14-,16+,17-/m1/s1 |
| InChIKey | DKYQYDPTWYXAFT-BEANVFONSA-N |
| Molecular Weight | 322.357 g/mol |
| SMILES | O[C@@]12[C@]([C@@]3(OC(=O)C([C@@]3(CC[C@@]1(COC(=O)C)[H])[H])=C)[H])(C(CC2)=O)C |
| SPLASH | splash10-0006-6930000000-69ceaaa207012e72e835 |
| Source of Spectrum | EP-8898-0-0 |
| Synonyms | [(3aS,6R,6aR,9aS,9bR)-6a-hydroxy-9a-methyl-3-methylene-2,9-dioxo-4,5,6,7,8,9b-hexahydro-3aH-azuleno[4,5-b]furan-6-yl]methyl acetate [(3aS,6R,6aR,9aS,9bR)-6a-hydroxy-9a-methyl-3-methylidene-2,9-dioxo-4,5,6,7,8,9b-hexahydro-3aH-azuleno[4,5-b]furan-6-yl]methyl acetate [(3aS,6R,6aR,9aS,9bR)-9a-methyl-3-methylidene-6a-oxidanyl-2,9-bis(oxidanylidene)-4,5,6,7,8,9b-hexahydro-3aH-azuleno[4,5-b]furan-6-yl]methyl ethanoate Acetic acid [(3aS,6R,6aR,9aS,9bR)-6a-hydroxy-9a-methyl-3-methylene-2,9-dioxo-4,5,6,7,8,9b-hexahydro-3aH-azuleno[4,5-b]furan-6-yl]methyl ester |
| Wiley ID | 1321588 |