| SpectraBase Compound ID | ABiZjzGrjS7 |
|---|---|
| InChI | InChI=1S/C19H26O5/c1-9-7-12-16-17(22)15(9)19(16,6)14(24-11(3)21)8-13(18(12,4)5)23-10(2)20/h7,12-16H,8H2,1-6H3/t12?,13-,14-,15+,16-,19+/m1/s1 |
| InChIKey | CGRZAFVBGCZEMM-NSMZABDRSA-N |
| Mol Weight | 334.41 g/mol |
| Molecular Formula | C19H26O5 |
| Exact Mass | 334.178024 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9PCHXuEzyVN |
|---|---|
| Name | 7,9-Diacetoxyvulgarone A |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H26O5 |
| InChI | InChI=1S/C19H26O5/c1-9-7-12-16-17(22)15(9)19(16,6)14(24-11(3)21)8-13(18(12,4)5)23-10(2)20/h7,12-16H,8H2,1-6H3/t12?,13-,14-,15+,16-,19+/m1/s1 |
| InChIKey | CGRZAFVBGCZEMM-NSMZABDRSA-N |
| Molecular Weight | 334.412 g/mol |
| SMILES | [C@]12([C@@]3(C(=O)[C@]2(C(C(C)(C)[C@@](C[C@]1(OC(=O)C)[H])(OC(=O)C)[H])C=C3C)[H])[H])C |
| SPLASH | splash10-0fer-0930000000-6b06e7779de6b77b99ae |
| Source of Spectrum | AT-37-8095-5 |
| Wiley ID | 853707 |