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2,4,6,8,10,12,14-Pentadecaheptaenoic acid, 15-(4-methoxyphenyl)-, 3-methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl ester

View entire compound with spectra: 2 MS (GC)

2,4,6,8,10,12,14-Pentadecaheptaenoic acid, 15-(4-methoxyphenyl)-, 3-methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl ester
SpectraBase Compound ID CwdIMUJOD6U
InChI InChI=1S/C46H62O4/c1-38(2)26-21-17-15-16-19-23-30-43-44(49-6)36-41(29-25-27-39(3)4)37-45(43)50-46(47)31-24-20-14-12-10-8-7-9-11-13-18-22-28-40-32-34-42(48-5)35-33-40/h7-14,18,20,22,24,28,31-39H,15-17,19,21,23,25-27,29-30H2,1-6H3/b8-7+,11-9+,12-10+,18-13+,20-14+,28-22+,31-24+
InChIKey MEMAZGJOGGJEFC-ISIXAEKRSA-N
Mol Weight 679.0 g/mol
Molecular Formula C46H62O4
Exact Mass 678.46481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3TDfuMptOUK
Name 2,4,6,8,10,12,14-Pentadecaheptaenoic acid, 15-(4-methoxyphenyl)-, 3-methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl ester
CAS Registry Number 71394-73-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C46H62O4
InChI InChI=1S/C46H62O4/c1-38(2)26-21-17-15-16-19-23-30-43-44(49-6)36-41(29-25-27-39(3)4)37-45(43)50-46(47)31-24-20-14-12-10-8-7-9-11-13-18-22-28-40-32-34-42(48-5)35-33-40/h7-14,18,20,22,24,28,31-39H,15-17,19,21,23,25-27,29-30H2,1-6H3/b8-7+,11-9+,12-10+,18-13+,20-14+,28-22+,31-24+
InChIKey MEMAZGJOGGJEFC-ISIXAEKRSA-N
Molecular Weight 678.998 g/mol
SMILES COc1ccc(\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 splash10-00di-0294000000-5632dc7027e3ccd8175f
Source of Spectrum W5-1989-799-1
Synonyms 3-Methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl (2E,4E,6E,8E,10E,12E,14E)-15-(4-methoxyphenyl)-2,4,6,8,10,12,14-pentadecaheptaenoate (2E,4E,6E,8E,10E,12E,14E)-15-(4-methoxyphenyl)pentadeca-2,4,6,8,10,12,14-heptaenoic 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)-15-(4-methoxyphenyl)pentadeca-2,4,6,8,10,12,14-heptaenoate [3-methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl] (2E,4E,6E,8E,10E,12E,14E)-15-(4-methoxyphenyl)pentadeca-2,4,6,8,10,12,14-heptaenoate
Wiley ID 1414290