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5,11(S),15(S),17-Tetramethyl-9-ethyl-17(R)-(2-methyl-1,3-dioxolan-2-yl)-octadeca-5(E),9(E),13(E)-trien-2-one
SpectraBase Compound ID 9bRbLRrFSR4
InChI InChI=1S/C27H46O3/c1-8-26(14-10-11-21(2)15-16-25(6)28)20-23(4)13-9-12-22(3)19-24(5)27(7)29-17-18-30-27/h9,11-12,20,22-24H,8,10,13-19H2,1-7H3/b12-9+,21-11+,26-20+
InChIKey GAWPOUGFNKLZMN-APBUXJAISA-N
Mol Weight 418.7 g/mol
Molecular Formula C27H46O3
Exact Mass 418.344695 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1ejwpixMEXl
Name 5,11(S),15(S),17-Tetramethyl-9-ethyl-17(R)-(2-methyl-1,3-dioxolan-2-yl)-octadeca-5(E),9(E),13(E)-trien-2-one
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Formula C27H46O3
InChI InChI=1S/C27H46O3/c1-8-26(14-10-11-21(2)15-16-25(6)28)20-23(4)13-9-12-22(3)19-24(5)27(7)29-17-18-30-27/h9,11-12,20,22-24H,8,10,13-19H2,1-7H3/b12-9+,21-11+,26-20+
InChIKey GAWPOUGFNKLZMN-APBUXJAISA-N
Instrument Name Jeol FX-90
Literature Reference D. Patel, F. Vanmiddlesworth, J. Donaubauer, J. Am. Chem. Soc. 108, 4603 (1986).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3