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4,10(S),14(S),16(R)-Tetramethyl-8-ethyl-16-(2-methyl-1,3-dioxolan-2-yl)-heptadeca-4(E),8(E),12(E)-trienoic acid, methyl E
SpectraBase Compound ID 9PPrQTtitOV
InChI InChI=1S/C27H46O4/c1-8-25(14-10-11-21(2)15-16-26(28)29-7)20-23(4)13-9-12-22(3)19-24(5)27(6)30-17-18-31-27/h9,11-12,20,22-24H,8,10,13-19H2,1-7H3/b12-9+,21-11+,25-20+
InChIKey OENMZYQXOXHKJK-YZGKSPIUSA-N
Mol Weight 434.7 g/mol
Molecular Formula C27H46O4
Exact Mass 434.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AMSgzaKtYCL
Name 4,10(S),14(S),16(R)-Tetramethyl-8-ethyl-16-(2-methyl-1,3-dioxolan-2-yl)-heptadeca-4(E),8(E),12(E)-trienoic acid, methyl E
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Formula C27H46O4
InChI InChI=1S/C27H46O4/c1-8-25(14-10-11-21(2)15-16-26(28)29-7)20-23(4)13-9-12-22(3)19-24(5)27(6)30-17-18-31-27/h9,11-12,20,22-24H,8,10,13-19H2,1-7H3/b12-9+,21-11+,25-20+
InChIKey OENMZYQXOXHKJK-YZGKSPIUSA-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