| SpectraBase Compound ID | TrCTO7dri9 |
|---|---|
| InChI | InChI=1S/C27H36O3S/c28-27(24-23-22(15-31-24)29-1-2-30-23,25-9-16-3-17(10-25)5-18(4-16)11-25)26-12-19-6-20(13-26)8-21(7-19)14-26/h15-21,28H,1-14H2/t16-,17+,18-,19-,20+,21-,25-,26?,27? |
| InChIKey | QKOILLWZKORYPJ-FUNGCRASSA-N |
| Mol Weight | 440.6 g/mol |
| Molecular Formula | C27H36O3S |
| Exact Mass | 440.238516 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LTqUEmtxCWG |
|---|---|
| Name | ANTI-3,4-(ETHYLENEDIOXY)-2-THIENYLDI-(1-ADAMANTYL)-METHANOL |
| Compound Number | 3A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H36O3S |
| InChI | InChI=1S/C27H36O3S/c28-27(24-23-22(15-31-24)29-1-2-30-23,25-9-16-3-17(10-25)5-18(4-16)11-25)26-12-19-6-20(13-26)8-21(7-19)14-26/h15-21,28H,1-14H2/t16-,17+,18-,19-,20+,21-,25-,26?,27? |
| InChIKey | QKOILLWZKORYPJ-FUNGCRASSA-N |
| Literature Reference Author | J.S.LOMAS |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-2,754(2001) |
| Literature Reference DOI | 10.1039/b010082j |
| Molecular Weight | 440.641 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ20093 |