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2,4,6,8,10,12,14,16-Heptadecaoctaenoic acid, 17-(4-hydroxyphenyl)-, 2-dodecyl-3-hydroxy-5-methylphenyl ester
SpectraBase Compound ID 84Yuc8IWLiQ
InChI InChI=1S/C42H52O4/c1-3-4-5-6-7-8-16-19-22-25-28-39-40(44)34-36(2)35-41(39)46-42(45)29-26-23-20-17-14-12-10-9-11-13-15-18-21-24-27-37-30-32-38(43)33-31-37/h9-15,17-18,20-21,23-24,26-27,29-35,43-44H,3-8,16,19,22,25,28H2,1-2H3/b11-9+,12-10+,15-13+,17-14+,21-18+,23-20+,27-24+,29-26-
InChIKey SRRWOMPVEINUED-SQMHIWOVSA-N
Mol Weight 620.9 g/mol
Molecular Formula C42H52O4
Exact Mass 620.38656 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2MyaUpdYFZ6
Name 2,4,6,8,10,12,14,16-Heptadecaoctaenoic acid, 17-(4-hydroxyphenyl)-, 2-dodecyl-3-hydroxy-5-methylphenyl ester
Alternate Name(s) 2-Dodecyl-3-hydroxy-5-methylphenyl (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-methylphenylester of 17-(4-hydroxyphenyl)-2,4,6,8,10,12,14,16-heptadecaoctaenoic acid
CAS Registry Number 75013-59-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H52O4
InChI InChI=1S/C42H52O4/c1-3-4-5-6-7-8-16-19-22-25-28-39-40(44)34-36(2)35-41(39)46-42(45)29-26-23-20-17-14-12-10-9-11-13-15-18-21-24-27-37-30-32-38(43)33-31-37/h9-15,17-18,20-21,23-24,26-27,29-35,43-44H,3-8,16,19,22,25,28H2,1-2H3/b11-9+,12-10+,15-13+,17-14+,21-18+,23-20+,27-24+,29-26-
InChIKey SRRWOMPVEINUED-SQMHIWOVSA-N
Molecular Weight 620.874 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)C)CCCCCCCCCCCC
SPLASH splash10-052r-0910000000-bb736d039dcf2a46235c
Source of Spectrum F-37-562-0
Wiley ID 1411580