![(+/-)-2-(S)-[(E)-1-(R)-NORMAL-BUTYL-3-PHENYL-2-(S(S))-(2-METHOXY-1-NAPHTHYLSULFINYL)-2-PROPEN-1-YL]-CYCLOHEXANONE](/api/spectrum/DTHpnJX2Syf/structure.png?h=300&w=458 "(+/-)-2-(S)-[(E)-1-(R)-NORMAL-BUTYL-3-PHENYL-2-(S(S))-(2-METHOXY-1-NAPHTHYLSULFINYL)-2-PROPEN-1-YL]-CYCLOHEXANONE")
| SpectraBase Compound ID | 9c4PGGbdUMG |
|---|---|
| InChI | InChI=1S/C30H34O3S/c1-3-4-15-26(25-17-10-11-18-27(25)31)29(21-22-12-6-5-7-13-22)34(32)30-24-16-9-8-14-23(24)19-20-28(30)33-2/h5-9,12-14,16,19-21,25-26H,3-4,10-11,15,17-18H2,1-2H3/b29-21+/t25-,26+,34?/m0/s1 |
| InChIKey | RDVCVWQXLXPMCE-VPXVZNKCSA-N |
| Mol Weight | 474.7 g/mol |
| Molecular Formula | C30H34O3S |
| Exact Mass | 474.222866 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DTHpnJX2Syf |
|---|---|
| Name | (+/-)-2-(S)-[(E)-1-(R)-NORMAL-BUTYL-3-PHENYL-2-(S(S))-(2-METHOXY-1-NAPHTHYLSULFINYL)-2-PROPEN-1-YL]-CYCLOHEXANONE |
| Compound Number | 18 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H34O3S |
| InChI | InChI=1S/C30H34O3S/c1-3-4-15-26(25-17-10-11-18-27(25)31)29(21-22-12-6-5-7-13-22)34(32)30-24-16-9-8-14-23(24)19-20-28(30)33-2/h5-9,12-14,16,19-21,25-26H,3-4,10-11,15,17-18H2,1-2H3/b29-21+/t25-,26+,34?/m0/s1 |
| InChIKey | RDVCVWQXLXPMCE-VPXVZNKCSA-N |
| Literature Reference Author | R.F.D.L.PRADILLA,C.MONTERO,M.TARTOSA |
| Literature Reference Citation | ORG.LETTERS,4,2373(2002) |
| Literature Reference DOI | 10.1021/ol0261130 |
| Molecular Weight | 474.658 g/mol |
| Sample ID | 27470 |
| Solvent | CDCl3 |