| SpectraBase Compound ID | LDfqRaJKNA5 |
|---|---|
| InChI | InChI=1S/C28H39NO5/c1-22-11-10-15-26(29-28(31)34-21-23-12-4-2-5-13-23)25(22)18-17-24(30)14-6-3-8-19-32-27-16-7-9-20-33-27/h2,4-5,10,12-13,15,17-18,22,25-27H,3,6-9,11,14,16,19-21H2,1H3,(H,29,31)/b18-17+ |
| InChIKey | MTFAFLDUECYOHT-ISLYRVAYSA-N |
| Mol Weight | 469.6 g/mol |
| Molecular Formula | C28H39NO5 |
| Exact Mass | 469.282823 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2NBgaZ3xj3A |
|---|---|
| Name | 8-(Tetrahydropyran-2-yloxy)-1-(3-benzyloxycarbamino-5-methyl-cyclohexen-4-yl)-oct-1-en-3-one |
| CAS Registry Number | 67880-42-6 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C28H39NO5 |
| InChI | InChI=1S/C28H39NO5/c1-22-11-10-15-26(29-28(31)34-21-23-12-4-2-5-13-23)25(22)18-17-24(30)14-6-3-8-19-32-27-16-7-9-20-33-27/h2,4-5,10,12-13,15,17-18,22,25-27H,3,6-9,11,14,16,19-21H2,1H3,(H,29,31)/b18-17+ |
| InChIKey | MTFAFLDUECYOHT-ISLYRVAYSA-N |
| Instrument Name | Bruker WH-90 |
| Literature Reference | L.E. Overman, P.J. Jessup, J. Am. Chem. Soc. 100, 5179 (1978). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |