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2,4,6,8,10,12,14,16-Heptadecaoctaenoic acid, 17-(4-methoxyphenyl)-, 3-methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl ester

View entire compound with spectra: 1 MS (GC)

2,4,6,8,10,12,14,16-Heptadecaoctaenoic acid, 17-(4-methoxyphenyl)-, 3-methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl ester
SpectraBase Compound ID CShJ3Na4JL5
InChI InChI=1S/C48H64O4/c1-40(2)28-23-19-17-18-21-25-32-45-46(51-6)38-43(31-27-29-41(3)4)39-47(45)52-48(49)33-26-22-16-14-12-10-8-7-9-11-13-15-20-24-30-42-34-36-44(50-5)37-35-42/h7-16,20,22,24,26,30,33-41H,17-19,21,23,25,27-29,31-32H2,1-6H3/b9-7+,10-8+,13-11+,14-12+,20-15+,22-16+,30-24+,33-26+
InChIKey GPPDEBSQWRNLRZ-DHBDOPSGSA-N
Mol Weight 705.0 g/mol
Molecular Formula C48H64O4
Exact Mass 704.480461 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JgKqf2V7S4y
Name 2,4,6,8,10,12,14,16-Heptadecaoctaenoic acid, 17-(4-methoxyphenyl)-, 3-methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl ester
Alternate Name(s) 3-Methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl (2E,4E,6E,8E,10E,12E,14E,16E)-17-(4-methoxyphenyl)-2,4,6,8,10,12,14,16-heptadecaoctaenoate (2E,4E,6E,8E,10E,12E,14E,16E)-17-(4-methoxyphenyl)heptadeca-2,4,6,8,10,12,14,16-octaenoic acid [3-methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl] ester [5-isohexyl-3-methoxy-2-(9-methyldecyl)phenyl] (2E,4E,6E,8E,10E,12E,14E,16E)-17-(4-methoxyphenyl)heptadeca-2,4,6,8,10,12,14,16-octaenoate [3-methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl] (2E,4E,6E,8E,10E,12E,14E,16E)-17-(4-methoxyphenyl)heptadeca-2,4,6,8,10,12,14,16-octaenoate
CAS Registry Number 69505-98-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H64O4
InChI InChI=1S/C48H64O4/c1-40(2)28-23-19-17-18-21-25-32-45-46(51-6)38-43(31-27-29-41(3)4)39-47(45)52-48(49)33-26-22-16-14-12-10-8-7-9-11-13-15-20-24-30-42-34-36-44(50-5)37-35-42/h7-16,20,22,24,26,30,33-41H,17-19,21,23,25,27-29,31-32H2,1-6H3/b9-7+,10-8+,13-11+,14-12+,20-15+,22-16+,30-24+,33-26+
InChIKey GPPDEBSQWRNLRZ-DHBDOPSGSA-N
Molecular Weight 705.036 g/mol
SMILES COc1ccc(\C=C\C=C\C=C\C=C\C=C\C=C\C=C\C=C\C(=O)Oc2cc(CCCC(C)C)cc(OC)c2CCCCCCCCC(C)C)cc1
SPLASH splash10-02mi-0296000100-6e6e95d33a5a8a72dd45
Source of Spectrum K-112-205-0
Wiley ID 1415171