![(+/-)-2-(S)-[(Z)-1-(R)-NORMAL-BUTYL-3-PHENYL-2-(S(S))-(1-NAPHTHYLSULFINYL)-2-PROPEN-1-YL]-CYCLOHEXANONE](/api/spectrum/Nzncm5QaT2/structure.png?h=300&w=458 "(+/-)-2-(S)-[(Z)-1-(R)-NORMAL-BUTYL-3-PHENYL-2-(S(S))-(1-NAPHTHYLSULFINYL)-2-PROPEN-1-YL]-CYCLOHEXANONE")
| SpectraBase Compound ID | D9RxtuTejta |
|---|---|
| InChI | InChI=1S/C29H32O2S/c1-2-3-16-26(25-18-9-10-19-27(25)30)29(21-22-12-5-4-6-13-22)32(31)28-20-11-15-23-14-7-8-17-24(23)28/h4-8,11-15,17,20-21,25-26H,2-3,9-10,16,18-19H2,1H3/b29-21-/t25-,26-,32?/m1/s1 |
| InChIKey | FLPIGHWVSGFPCA-AHMXNITHSA-N |
| Mol Weight | 444.6 g/mol |
| Molecular Formula | C29H32O2S |
| Exact Mass | 444.212301 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Nzncm5QaT2 |
|---|---|
| Name | (+/-)-2-(S)-[(Z)-1-(R)-NORMAL-BUTYL-3-PHENYL-2-(S(S))-(1-NAPHTHYLSULFINYL)-2-PROPEN-1-YL]-CYCLOHEXANONE |
| Compound Number | 21 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H32O2S |
| InChI | InChI=1S/C29H32O2S/c1-2-3-16-26(25-18-9-10-19-27(25)30)29(21-22-12-5-4-6-13-22)32(31)28-20-11-15-23-14-7-8-17-24(23)28/h4-8,11-15,17,20-21,25-26H,2-3,9-10,16,18-19H2,1H3/b29-21-/t25-,26-,32?/m1/s1 |
| InChIKey | FLPIGHWVSGFPCA-AHMXNITHSA-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 | 444.632 g/mol |
| Sample ID | 27469 |
| Solvent | CDCl3 |