| SpectraBase Compound ID | 93HAYkKaRBw |
|---|---|
| InChI | InChI=1S/C42H56O4/c1-5-7-9-10-11-17-20-24-28-39-40(45-4)34-37(27-22-8-6-2)35-41(39)46-42(43)29-25-21-18-15-13-12-14-16-19-23-26-36-30-32-38(44-3)33-31-36/h12-16,18-19,21,23,25-26,29-35H,5-11,17,20,22,24,27-28H2,1-4H3/b14-12+,15-13+,19-16+,21-18+,26-23+,29-25+ |
| InChIKey | VWYWGIKKBFCGCV-UEMYLURSSA-N |
| Mol Weight | 624.9 g/mol |
| Molecular Formula | C42H56O4 |
| Exact Mass | 624.41786 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8PiNU3ehYO1 |
|---|---|
| Name | 2,4,6,8,10,12-Tridecahexaenoic acid, 13-(4-methoxyphenyl)-, 2-decyl-3-methoxy-5-pentylphenyl ester |
| CAS Registry Number | 71176-02-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C42H56O4 |
| InChI | InChI=1S/C42H56O4/c1-5-7-9-10-11-17-20-24-28-39-40(45-4)34-37(27-22-8-6-2)35-41(39)46-42(43)29-25-21-18-15-13-12-14-16-19-23-26-36-30-32-38(44-3)33-31-36/h12-16,18-19,21,23,25-26,29-35H,5-11,17,20,22,24,27-28H2,1-4H3/b14-12+,15-13+,19-16+,21-18+,26-23+,29-25+ |
| InChIKey | VWYWGIKKBFCGCV-UEMYLURSSA-N |
| Molecular Weight | 624.906 g/mol |
| SMILES | CCCCCCCCCCc1c(OC)cc(CCCCC)cc1OC(=O)\C=C\C=C\C=C\C=C\C=C\C=C\c1ccc(OC)cc1 |
| SPLASH | splash10-00dl-0892001000-cd7b11ee9b0f4a921208 |
| Source of Spectrum | K-112-2005-0 |
| Synonyms | 2-Decyl-3-methoxy-5-pentylphenyl (2E,4E,6E,8E,10E,12E)-13-(4-methoxyphenyl)-2,4,6,8,10,12-tridecahexaenoate (2-decyl-3-methoxy-5-pentyl-phenyl) (2E,4E,6E,8E,10E,12E)-13-(4-methoxyphenyl)trideca-2,4,6,8,10,12-hexaenoate (2E,4E,6E,8E,10E,12E)-13-(4-methoxyphenyl)trideca-2,4,6,8,10,12-hexaenoic acid (2-decyl-3-methoxy-5-pentylphenyl) ester (2E,4E,6E,8E,10E,12E)-13-(4-methoxyphenyl)trideca-2,4,6,8,10,12-hexaenoic acid (5-amyl-2-decyl-3-methoxy-phenyl) ester |
| Wiley ID | 1411809 |