| SpectraBase Compound ID | 9pAj3jqTEr3 |
|---|---|
| InChI | InChI=1S/C44H58O4/c1-5-7-9-10-11-19-22-26-30-41-42(47-4)36-39(29-24-8-6-2)37-43(41)48-44(45)31-27-23-20-17-15-13-12-14-16-18-21-25-28-38-32-34-40(46-3)35-33-38/h12-18,20-21,23,25,27-28,31-37H,5-11,19,22,24,26,29-30H2,1-4H3/b13-12+,16-14+,17-15+,21-18+,23-20+,28-25+,31-27+ |
| InChIKey | BNDHLYNIPYWEQW-YWQQEQLZSA-N |
| Mol Weight | 650.9 g/mol |
| Molecular Formula | C44H58O4 |
| Exact Mass | 650.43351 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | E89qD9sZ1rb |
|---|---|
| Name | 2,4,6,8,10,12,14-Pentadecaheptaenoic acid, 15-(4-methoxyphenyl)-, 2-decyl-3-methoxy-5-pentylphenyl ester |
| CAS Registry Number | 71246-59-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C44H58O4 |
| InChI | InChI=1S/C44H58O4/c1-5-7-9-10-11-19-22-26-30-41-42(47-4)36-39(29-24-8-6-2)37-43(41)48-44(45)31-27-23-20-17-15-13-12-14-16-18-21-25-28-38-32-34-40(46-3)35-33-38/h12-18,20-21,23,25,27-28,31-37H,5-11,19,22,24,26,29-30H2,1-4H3/b13-12+,16-14+,17-15+,21-18+,23-20+,28-25+,31-27+ |
| InChIKey | BNDHLYNIPYWEQW-YWQQEQLZSA-N |
| Molecular Weight | 650.944 g/mol |
| SMILES | CCCCCCCCCCc1c(OC)cc(CCCCC)cc1OC(=O)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\c1ccc(OC)cc1 |
| SPLASH | splash10-05fr-0983001000-72387cf8b0e031891b65 |
| Source of Spectrum | K-112-2006-0 |
| Synonyms | 2-Decyl-3-methoxy-5-pentylphenyl (2E,4E,6E,8E,10E,12E,14E)-15-(4-methoxyphenyl)-2,4,6,8,10,12,14-pentadecaheptaenoate (2-decyl-3-methoxy-5-pentyl-phenyl) (2E,4E,6E,8E,10E,12E,14E)-15-(4-methoxyphenyl)pentadeca-2,4,6,8,10,12,14-heptaenoate (2E,4E,6E,8E,10E,12E,14E)-15-(4-methoxyphenyl)pentadeca-2,4,6,8,10,12,14-heptaenoic acid (2-decyl-3-methoxy-5-pentylphenyl) ester (2E,4E,6E,8E,10E,12E,14E)-15-(4-methoxyphenyl)pentadeca-2,4,6,8,10,12,14-heptaenoic acid (5-amyl-2-decyl-3-methoxy-phenyl) ester |
| Wiley ID | 1413151 |