| SpectraBase Compound ID | 2LdVGlWvRjH |
|---|---|
| InChI | InChI=1S/C17H20O4/c1-9-4-5-12-10(2)6-16-14(7-13(9)12)15(17(19)21-16)8-20-11(3)18/h4,12-13,16H,2,5-8H2,1,3H3/t12-,13-,16-/m0/s1 |
| InChIKey | INOPFDSSHYFRDU-XEZPLFJOSA-N |
| Mol Weight | 288.34 g/mol |
| Molecular Formula | C17H20O4 |
| Exact Mass | 288.136159 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IjMrT3inuA4 |
|---|---|
| Name | 13-Acetoxy-1.alpha.,5..alpha.-H-guaia-3,7(11),10(15)-trien-8.alpha.,12-olide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H20O4 |
| InChI | InChI=1S/C17H20O4/c1-9-4-5-12-10(2)6-16-14(7-13(9)12)15(17(19)21-16)8-20-11(3)18/h4,12-13,16H,2,5-8H2,1,3H3/t12-,13-,16-/m0/s1 |
| InChIKey | INOPFDSSHYFRDU-XEZPLFJOSA-N |
| Molecular Weight | 288.343 g/mol |
| SMILES | C1(=C2[C@](CC(=C)[C@]3([C@@](C2)(C(=CC3)C)[H])[H])(OC1=O)[H])COC(=O)C |
| SPLASH | splash10-004i-2490000000-c02c12512689e217be3b |
| Source of Spectrum | G4-71-1413-4 |
| Synonyms | Hedyosumin D Acetic acid [(3aS,5aR,8aR)-8-methyl-5-methylene-2-oxo-3a,4,5a,6,8a,9-hexahydroazuleno[6,5-b]furan-1-yl]methyl ester [(3aS,5aR,8aR)-8-methyl-5-methylidene-2-oxo-3a,4,5a,6,8a,9-hexahydroazuleno[6,5-b]furan-1-yl]methyl acetate [(3aS,5aR,8aR)-8-methyl-5-methylene-2-oxo-3a,4,5a,6,8a,9-hexahydroazuleno[6,5-b]furan-1-yl]methyl acetate [(3aS,5aR,8aR)-8-methyl-5-methylidene-2-oxidanylidene-3a,4,5a,6,8a,9-hexahydroazuleno[6,5-b]furan-1-yl]methyl ethanoate |
| Wiley ID | 1695092 |