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2,4,6,8,10,12,14,16-Heptadecaoctaenoic acid, 17-(4-hydroxyphenyl)-, 2-dodecyl-3-hydroxy-5-propylphenyl ester
SpectraBase Compound ID C0YmlzmzaBc
InChI InChI=1S/C44H56O4/c1-3-5-6-7-8-9-17-20-23-26-30-41-42(46)36-39(28-4-2)37-43(41)48-44(47)31-27-24-21-18-15-13-11-10-12-14-16-19-22-25-29-38-32-34-40(45)35-33-38/h10-16,18-19,21-22,24-25,27,29,31-37,45-46H,3-9,17,20,23,26,28,30H2,1-2H3/b12-10+,13-11+,16-14+,18-15+,22-19+,24-21+,29-25+,31-27-
InChIKey NFXLDDNLHYSYSP-AEGBEEKXSA-N
Mol Weight 648.9 g/mol
Molecular Formula C44H56O4
Exact Mass 648.41786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BTcPQYQLZ3t
Name 2,4,6,8,10,12,14,16-Heptadecaoctaenoic acid, 17-(4-hydroxyphenyl)-, 2-dodecyl-3-hydroxy-5-propylphenyl ester
Alternate Name(s) 2-Dodecyl-3-hydroxy-5-propylphenyl (2Z,4E,6E,8E,10E,12E,14E,16E)-17-(4-hydroxyphenyl)-2,4,6,8,10,12,14,16-heptadecaoctaenoate 2-Dodecyl-3-hydroxy-5-propylphenylester of 17-(4-hydroxyphenyl)-2,4,6,8,10,12,14,16-heptadecaoctaenoic acid
CAS Registry Number 78368-43-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H56O4
InChI InChI=1S/C44H56O4/c1-3-5-6-7-8-9-17-20-23-26-30-41-42(46)36-39(28-4-2)37-43(41)48-44(47)31-27-24-21-18-15-13-11-10-12-14-16-19-22-25-29-38-32-34-40(45)35-33-38/h10-16,18-19,21-22,24-25,27,29,31-37,45-46H,3-9,17,20,23,26,28,30H2,1-2H3/b12-10+,13-11+,16-14+,18-15+,22-19+,24-21+,29-25+,31-27-
InChIKey NFXLDDNLHYSYSP-AEGBEEKXSA-N
Molecular Weight 648.928 g/mol
SMILES Oc1c(c(OC(\C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/c2ccc(cc2)O)=O)cc(c1)CCC)CCCCCCCCCCCC
SPLASH splash10-00xr-0920000000-1780ee279b947c9845c5
Source of Spectrum F-37-562-0
Wiley ID 1413055