| SpectraBase Compound ID | 6gIDYPDEjpA |
|---|---|
| InChI | InChI=1S/C26H38O3S2/c1-18-12-13-21(25(3,4)20-10-7-6-8-11-20)22(16-18)29-24(27)26(5,28)19(2)17-23-30-14-9-15-31-23/h6-8,10-11,17-19,21-22,28H,9,12-16H2,1-5H3/t18?,19-,21?,22?,26-/m0/s1 |
| InChIKey | OMXBPIVOCGZISF-YSJBRJGPSA-N |
| Mol Weight | 462.7 g/mol |
| Molecular Formula | C26H38O3S2 |
| Exact Mass | 462.226237 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HK9IXm9p7wU |
|---|---|
| Name | (2S,3R)-5-METHYL-2-(1-METHYL-1-PHENYLETHYL)-CYCLOHEXYL-4-(1,3-DITHIAN-2-YLIDENE)-2-HYDROXY-2,3-DIMETHYLBUTANOATE |
| CAS Registry Number | 139944-71-1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H38O3S2 |
| InChI | InChI=1S/C26H38O3S2/c1-18-12-13-21(25(3,4)20-10-7-6-8-11-20)22(16-18)29-24(27)26(5,28)19(2)17-23-30-14-9-15-31-23/h6-8,10-11,17-19,21-22,28H,9,12-16H2,1-5H3/t18?,19-,21?,22?,26-/m0/s1 |
| InChIKey | OMXBPIVOCGZISF-YSJBRJGPSA-N |
| Literature Reference Author | M.Y.CHEN,J.M.FANG |
| Literature Reference Citation | J.ORG.CHEM.,57,2937(1992) |
| Literature Reference DOI | 10.1021/jo00036a034 |
| Molecular Weight | 462.706 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS4064 |