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2,6,11,15-Tetramethyl-2(E),4(E),6(E),10(E),12(E),14(E)-hexadecahexaen-8-en-diacid-16-ethyl-1-(2-formyl-2-hydroxy-1,3,3-trimethyl-cyclohexyl)-ester

View entire compound with spectra: 1 MS (GC)

2,6,11,15-Tetramethyl-2(E),4(E),6(E),10(E),12(E),14(E)-hexadecahexaen-8-en-diacid-16-ethyl-1-(2-formyl-2-hydroxy-1,3,3-trimethyl-cyclohexyl)-ester
SpectraBase Compound ID JWnfHiIjZHl
InChI InChI=1S/C32H42O6/c1-9-37-28(34)26(4)19-12-17-24(2)15-10-11-16-25(3)18-13-20-27(5)29(35)38-31(8)22-14-21-30(6,7)32(31,36)23-33/h12-13,15-20,23,36H,9,14,21-22H2,1-8H3/b17-12+,18-13+,24-15+,25-16+,26-19+,27-20+
InChIKey DMNCKVCBZORJPQ-LJWJUZRMSA-N
Mol Weight 522.7 g/mol
Molecular Formula C32H42O6
Exact Mass 522.298139 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JsuU5HoJG9B
Name 2,6,11,15-Tetramethyl-2(E),4(E),6(E),10(E),12(E),14(E)-hexadecahexaen-8-en-diacid-16-ethyl-1-(2-formyl-2-hydroxy-1,3,3-trimethyl-cyclohexyl)-ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H42O6
InChI InChI=1S/C32H42O6/c1-9-37-28(34)26(4)19-12-17-24(2)15-10-11-16-25(3)18-13-20-27(5)29(35)38-31(8)22-14-21-30(6,7)32(31,36)23-33/h12-13,15-20,23,36H,9,14,21-22H2,1-8H3/b17-12+,18-13+,24-15+,25-16+,26-19+,27-20+
InChIKey DMNCKVCBZORJPQ-LJWJUZRMSA-N
Literature Reference DOI 10.1002/hlca.19710540808
Molecular Weight 522.682 g/mol
SMILES OC1(C(CCCC1(OC(\C(=C\C=C\C(=C\C#C\C=C\(\C=C\C=C\(C(OCC)=O)C)C)C)C)=O)C)(C)C)C=O
SPLASH splash10-0006-9032000000-e60c669b4d18b5789c1b
Source of Spectrum H-54-2458-28
Synonyms 1-Ethyl 16-(2-formyl-2-hydroxy-1,3,3-trimethylcyclohexyl) (2E,4E,6E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,10,12,14-hexaen-8-ynedioate
Wiley ID 1799879