| SpectraBase Compound ID | FB1FlQ06jCg |
|---|---|
| InChI | InChI=1S/C24H36O6/c1-20(25)13-7-3-2-4-8-16-22(27)19-23(28)17-11-5-9-14-21(26)15-10-6-12-18-24(29)30/h2,4-6,9-12,14,18,20-21,23,25-26,28H,3,7-8,13,15-17,19H2,1H3,(H,29,30)/b4-2+,10-6+,11-5-,14-9+,18-12- |
| InChIKey | YXATYAXRBGTMSM-NLFPMTTBSA-N |
| Mol Weight | 420.5 g/mol |
| Molecular Formula | C24H36O6 |
| Exact Mass | 420.251189 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5PuzzT3AdMx |
|---|---|
| Name | ISOMACROLACTINIC-ACID |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C24H36O6 |
| InChI | InChI=1S/C24H36O6/c1-20(25)13-7-3-2-4-8-16-22(27)19-23(28)17-11-5-9-14-21(26)15-10-6-12-18-24(29)30/h2,4-6,9-12,14,18,20-21,23,25-26,28H,3,7-8,13,15-17,19H2,1H3,(H,29,30)/b4-2+,10-6+,11-5-,14-9+,18-12- |
| InChIKey | YXATYAXRBGTMSM-NLFPMTTBSA-N |
| Literature Reference Author | K.GUSTAFSON,M.ROMAN,W.FENICAL |
| Literature Reference Citation | J.AM.CHEM.SOC.,111,7519(1989) |
| Literature Reference DOI | 10.1021/ja00201a036 |
| Molecular Weight | 420.546 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWED10403 |