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2,4,6,8,10,12,14,16-Heptadecaoctaenoic acid, 17-(4-methoxyphenyl)-, 2-dodecyl-3-methoxy-5-propylphenyl ester
SpectraBase Compound ID IgRRdGRPG3T
InChI InChI=1S/C46H60O4/c1-5-7-8-9-10-11-19-22-25-28-32-43-44(49-4)38-41(30-6-2)39-45(43)50-46(47)33-29-26-23-20-17-15-13-12-14-16-18-21-24-27-31-40-34-36-42(48-3)37-35-40/h12-18,20-21,23-24,26-27,29,31,33-39H,5-11,19,22,25,28,30,32H2,1-4H3/b14-12+,15-13+,18-16+,20-17+,24-21+,26-23+,31-27+,33-29-
InChIKey NCBNSMFAVPGAKK-PVBKQQRDSA-N
Mol Weight 677.0 g/mol
Molecular Formula C46H60O4
Exact Mass 676.44916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7lk1pglgX0b
Name 2,4,6,8,10,12,14,16-Heptadecaoctaenoic acid, 17-(4-methoxyphenyl)-, 2-dodecyl-3-methoxy-5-propylphenyl ester
CAS Registry Number 78368-47-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C46H60O4
InChI InChI=1S/C46H60O4/c1-5-7-8-9-10-11-19-22-25-28-32-43-44(49-4)38-41(30-6-2)39-45(43)50-46(47)33-29-26-23-20-17-15-13-12-14-16-18-21-24-27-31-40-34-36-42(48-3)37-35-40/h12-18,20-21,23-24,26-27,29,31,33-39H,5-11,19,22,25,28,30,32H2,1-4H3/b14-12+,15-13+,18-16+,20-17+,24-21+,26-23+,31-27+,33-29-
InChIKey NCBNSMFAVPGAKK-PVBKQQRDSA-N
Molecular Weight 676.982 g/mol
SMILES c1(c(c(OC)cc(c1)CCC)CCCCCCCCCCCC)OC(\C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/c1ccc(cc1)OC)=O
SPLASH splash10-01e9-0921000000-140bbbb0900a81051c14
Source of Spectrum F-37-562-0
Synonyms 2-Dodecyl-3-methoxy-5-propylphenyl (2Z,4E,6E,8E,10E,12E,14E,16E)-17-(4-methoxyphenyl)-2,4,6,8,10,12,14,16-heptadecaoctaenoate 2-Dodecyl-3-methoxy-5-propylphenylester of 17-(4-methoxyphenyl)-2,4,6,8,10,12,14,16-heptadecaoctaenoic acid
Wiley ID 1414201