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(2E,5S,6R)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-oxopentoxy]-6-methylocta-2,7-dienoic acid tert-butyl ester

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(2E,5S,6R)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-oxopentoxy]-6-methylocta-2,7-dienoic acid tert-butyl ester
SpectraBase Compound ID HSul8BDHp21
InChI InChI=1S/C25H46O5Si/c1-13-19(4)20(15-14-16-22(26)29-24(5,6)7)28-23(27)21(17-18(2)3)30-31(11,12)25(8,9)10/h13-14,16,18-21H,1,15,17H2,2-12H3/b16-14+/t19-,20+,21+/m1/s1
InChIKey QWXNJLYITVULEN-AMWLHTGXSA-N
Mol Weight 454.7 g/mol
Molecular Formula C25H46O5Si
Exact Mass 454.311451 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8yquZz8aXLi
Name (2E,5S,6R)-5-[(2S)-2-[Tert-butyl(dimethyl)silyl]oxy-4-methyl-1-oxopentoxy]-6-methylocta-2,7-dienoic acid tert-butyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 454.311451111 u
Formula C25H46O5Si
InChI InChI=1S/C25H46O5Si/c1-13-19(4)20(15-14-16-22(26)29-24(5,6)7)28-23(27)21(17-18(2)3)30-31(11,12)25(8,9)10/h13-14,16,18-21H,1,15,17H2,2-12H3/b16-14+/t19-,20+,21+/m1/s1
InChIKey QWXNJLYITVULEN-AMWLHTGXSA-N
Molecular Weight 454.723 g/mol
SMILES [C@@](C(O[C@]([C@@](C=C)(C)[H])(C\C=C\C(OC(C)(C)C)=O)[H])=O)(O[Si](C(C)(C)C)(C)C)(CC(C)C)[H]