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(4S,4'R,6R)-4,6-DIETHYL-4-(4-ETHYL-2-METHYLOCTA-1,5-DIENYL)-2-PHENYL-6-VINYL-1,3-DIOXANE
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

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