| SpectraBase Compound ID | 9J0glHDbQvr |
|---|---|
| InChI | InChI=1S/C21H30O4/c1-12(2)16-7-15-9-20(11-23)17-6-13(3)5-14(17)8-19(15,10-22)21(16,20)18(24)25-4/h7,11-15,17,22H,5-6,8-10H2,1-4H3/t13?,14-,15-,17+,19-,20-,21+/m0/s1 |
| InChIKey | IZYAZFAKZNGJLH-HVLGAFCQSA-N |
| Mol Weight | 346.47 g/mol |
| Molecular Formula | C21H30O4 |
| Exact Mass | 346.214409 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BhST0qFaof9 |
|---|---|
| Name | Methyl 19-hydroxy-17-oxosordaric -1-en-18-oate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H30O4 |
| InChI | InChI=1S/C21H30O4/c1-12(2)16-7-15-9-20(11-23)17-6-13(3)5-14(17)8-19(15,10-22)21(16,20)18(24)25-4/h7,11-15,17,22H,5-6,8-10H2,1-4H3/t13?,14-,15-,17+,19-,20-,21+/m0/s1 |
| InChIKey | IZYAZFAKZNGJLH-HVLGAFCQSA-N |
| Molecular Weight | 346.467 g/mol |
| SMILES | OC[C@]12[C@]3([C@@]([C@@]4(CC(C)C[C@]4(C2)[H])[H])(C[C@@]1(C=C3C(C)C)[H])C=O)C(=O)OC |
| SPLASH | splash10-00lr-2954000000-e13adafb97b18349b98e |
| Source of Spectrum | F-70-1667-30 |
| Wiley ID | 1596352 |