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2,6,11-Trimethyl-2(E),4(E),6(E),10(E),12(E)-tetradecapentaen-8-en-diacid-1-(2-formyl-2-hydroxy-1,3,3-trimethyl-cyclohexyl)-14-methyl-ester

View entire compound with spectra: 1 MS (GC)

2,6,11-Trimethyl-2(E),4(E),6(E),10(E),12(E)-tetradecapentaen-8-en-diacid-1-(2-formyl-2-hydroxy-1,3,3-trimethyl-cyclohexyl)-14-methyl-ester
SpectraBase Compound ID jeMlqsDsuO
InChI InChI=1S/C28H36O6/c1-21(12-8-9-13-22(2)16-17-24(30)33-7)14-10-15-23(3)25(31)34-27(6)19-11-18-26(4,5)28(27,32)20-29/h10,12-17,20,32H,11,18-19H2,1-7H3/b14-10+,17-16+,21-12+,22-13+,23-15+
InChIKey TYISQQSASXEJJU-ABBVKWKJSA-N
Mol Weight 468.6 g/mol
Molecular Formula C28H36O6
Exact Mass 468.251189 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GsYXqI4cbTm
Name 2,6,11-Trimethyl-2(E),4(E),6(E),10(E),12(E)-tetradecapentaen-8-en-diacid-1-(2-formyl-2-hydroxy-1,3,3-trimethyl-cyclohexyl)-14-methyl-ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H36O6
InChI InChI=1S/C28H36O6/c1-21(12-8-9-13-22(2)16-17-24(30)33-7)14-10-15-23(3)25(31)34-27(6)19-11-18-26(4,5)28(27,32)20-29/h10,12-17,20,32H,11,18-19H2,1-7H3/b14-10+,17-16+,21-12+,22-13+,23-15+
InChIKey TYISQQSASXEJJU-ABBVKWKJSA-N
Literature Reference DOI 10.1002/hlca.19710540808
Molecular Weight 468.590 g/mol
SMILES OC1(C(CCCC1(C)C)(C)OC(\C(C)=C\C=C\C(C)=C\C#C\C=C\(\C=C\C(OC)=O)C)=O)C=O
SPLASH splash10-0007-9441000000-7ebfd71beeb46c4bbc7f
Source of Spectrum H-54-2459-33
Synonyms 1-(2-formyl-2-hydroxy-1,3,3-trimethylcyclohexyl) 14-methyl (2E,4E,6E,10E,12E)-2,6,11-trimethyltetradeca-2,4,6,10,12-pentaen-8-ynedioate
Wiley ID 1799881