| SpectraBase Compound ID | JT3NwQEfUvF |
|---|---|
| InChI | InChI=1S/C28H44O2/c29-27-22-18-24-28(30,25-27)23-17-12-10-8-6-4-2-1-3-5-7-9-11-14-19-26-20-15-13-16-21-26/h7,9,13,15-16,18,20-22,27,29-30H,1-6,8,10-12,14,17,19,23-25H2/b9-7-/t27-,28+/m0/s1 |
| InChIKey | PWMTUNFJUOXOCX-CBVWOSOISA-N |
| Mol Weight | 412.7 g/mol |
| Molecular Formula | C28H44O2 |
| Exact Mass | 412.334131 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2jOrvjCx0K7 |
|---|---|
| Name | 1-(16'-PHENYL-12'Z-HEXADECENYL)-4-CYCLOHEXENE-(1S*,3S*)-DIOL |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H44O2 |
| InChI | InChI=1S/C28H44O2/c29-27-22-18-24-28(30,25-27)23-17-12-10-8-6-4-2-1-3-5-7-9-11-14-19-26-20-15-13-16-21-26/h7,9,13,15-16,18,20-22,27,29-30H,1-6,8,10-12,14,17,19,23-25H2/b9-7-/t27-,28+/m0/s1 |
| InChIKey | PWMTUNFJUOXOCX-CBVWOSOISA-N |
| Literature Reference Author | S.D.J.CORREIRA,J.M.DAVID,J.P.DAVID,H.B.CHAI,J.M.PEZZUTO,G.A. CORDELL |
| Literature Reference Citation | PHYTOCHEM.,56,781(2001) |
| Literature Reference DOI | 10.1016/S0031-9422(00)00476-3 |
| Molecular Weight | 412.656 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN2044 |