| SpectraBase Compound ID | 4JQq4gEbx4m |
|---|---|
| InChI | InChI=1S/C17H20O5/c1-8-11-5-12-9(2)16(20)21-15(12)7-17(4,22-10(3)18)13(11)6-14(8)19/h13,15H,5-7H2,1-4H3/t13-,15+,17-/m1/s1 |
| InChIKey | JWWRQELEORKGCO-UKPHBRMFSA-N |
| Mol Weight | 304.34 g/mol |
| Molecular Formula | C17H20O5 |
| Exact Mass | 304.131074 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3aYcABoXqKG |
|---|---|
| Name | 10.alpha.-Acetoxy-3-oxo-1.alpha.H,8.beta.H-guaiaa-4,7(11)-dien-8,12-olide |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H20O5 |
| InChI | InChI=1S/C17H20O5/c1-8-11-5-12-9(2)16(20)21-15(12)7-17(4,22-10(3)18)13(11)6-14(8)19/h13,15H,5-7H2,1-4H3/t13-,15+,17-/m1/s1 |
| InChIKey | JWWRQELEORKGCO-UKPHBRMFSA-N |
| Molecular Weight | 304.342 g/mol |
| SMILES | C=12[C@]([C@@](C[C@]3(C(C2)=C(C(=O)O3)C)[H])(OC(=O)C)C)(CC(C1C)=O)[H] |
| SPLASH | splash10-01ox-0090000000-0dd10166a0d7b5f0832b |
| Source of Spectrum | J-65-6706-4 |
| Synonyms | Acetic acid [(3aS,5R,5aR)-1,5,8-trimethyl-2,7-dioxo-4,5a,6,9-tetrahydro-3aH-azuleno[6,7-b]furan-5-yl] ester [(3aS,5R,5aR)-1,5,8-trimethyl-2,7-dioxo-4,5a,6,9-tetrahydro-3aH-azuleno[6,7-b]furan-5-yl] acetate [(3aS,5R,5aR)-1,5,8-trimethyl-2,7-bis(oxidanylidene)-4,5a,6,9-tetrahydro-3aH-azuleno[6,7-b]furan-5-yl] ethanoate |
| Wiley ID | 1533489 |