| SpectraBase Compound ID | 3wmV3a2LMp |
|---|---|
| InChI | InChI=1S/C46H60Cl2O4/c1-36(2)26-21-17-15-16-19-23-30-40-43(50-5)34-39(29-25-27-37(3)4)35-44(40)52-45(49)31-24-20-14-12-10-8-7-9-11-13-18-22-28-38-32-41(47)46(51-6)42(48)33-38/h7-14,18,20,22,24,28,31-37H,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 | DTYZVYDOJOETIY-ISIXAEKRSA-N |
| Mol Weight | 747.9 g/mol |
| Molecular Formula | C46H60Cl2O4 |
| Exact Mass | 746.386866 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5Ot6LHOEEGU |
|---|---|
| Name | 2,4,6,8,10,12,14-Pentadecaheptaenoic acid, 15-(3,5-dichloro-4-methoxyphenyl)-, 3-methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl ester |
| CAS Registry Number | 71246-78-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C46H60Cl2O4 |
| InChI | InChI=1S/C46H60Cl2O4/c1-36(2)26-21-17-15-16-19-23-30-40-43(50-5)34-39(29-25-27-37(3)4)35-44(40)52-45(49)31-24-20-14-12-10-8-7-9-11-13-18-22-28-38-32-41(47)46(51-6)42(48)33-38/h7-14,18,20,22,24,28,31-37H,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 | DTYZVYDOJOETIY-ISIXAEKRSA-N |
| Molecular Weight | 747.888 g/mol |
| SMILES | COc1c(CCCCCCCCC(C)C)c(OC(=O)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\c2cc(Cl)c(OC)c(Cl)c2)cc(CCCC(C)C)c1 |
| SPLASH | splash10-03k9-0196000000-80d7d8608323d93f7abb |
| Source of Spectrum | W5-38497-27039-27039 |
| Synonyms | 3-Methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl (2E,4E,6E,8E,10E,12E,14E)-15-(3,5-dichloro-4-methoxyphenyl)-2,4,6,8,10,12,14-pentadecaheptaenoate (2E,4E,6E,8E,10E,12E,14E)-15-(3,5-dichloro-4-methoxyphenyl)pentadeca-2,4,6,8,10,12,14-heptaenoic acid [3-methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl] ester [3-methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl] (2E,4E,6E,8E,10E,12E,14E)-15-(3,5-dichloro-4-methoxyphenyl)pentadeca-2,4,6,8,10,12,14-heptaenoate [5-isohexyl-3-methoxy-2-(9-methyldecyl)phenyl] (2E,4E,6E,8E,10E,12E,14E)-15-(3,5-dichloro-4-methoxy-phenyl)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-[3,5-bis(chloranyl)-4-methoxy-phenyl]pentadeca-2,4,6,8,10,12,14-heptaenoate |
| Wiley ID | 1416249 |