| SpectraBase Compound ID | KhVtuKaT3J5 |
|---|---|
| InChI | InChI=1S/C27H40O2/c1-7-12-16-23(8-2)19-22(6)20-27(11-5)21-26(9-3,10-4)28-25(29-27)24-17-14-13-15-18-24/h9,12-18,20,23,25H,3,7-8,10-11,19,21H2,1-2,4-6H3/b16-12+,22-20+/t23-,25-,26-,27+/m1/s1 |
| InChIKey | ULBDBERNZOKQDM-JJHIWNJWSA-N |
| Mol Weight | 396.6 g/mol |
| Molecular Formula | C27H40O2 |
| Exact Mass | 396.302831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 31B2mVc9oal |
|---|---|
| Name | (4S,4'R,6R)-4,6-DIETHYL-4-(4-ETHYL-2-METHYLOCTA-1,5-DIENYL)-2-PHENYL-6-VINYL-1,3-DIOXANE |
| Compound Number | 22 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H40O2 |
| InChI | InChI=1S/C27H40O2/c1-7-12-16-23(8-2)19-22(6)20-27(11-5)21-26(9-3,10-4)28-25(29-27)24-17-14-13-15-18-24/h9,12-18,20,23,25H,3,7-8,10-11,19,21H2,1-2,4-6H3/b16-12+,22-20+/t23-,25-,26-,27+/m1/s1 |
| InChIKey | ULBDBERNZOKQDM-JJHIWNJWSA-N |
| Literature Reference Author | M.F.SEMMELHACK,R.J.HOOLEY,C.M.KRAML |
| Literature Reference Citation | ORG.LETTERS,8,5203(2006) |
| Literature Reference DOI | 10.1021/ol0618656 |
| Molecular Weight | 396.613 g/mol |
| Sample ID | 61874 |
| Solvent | C6D6 |