| SpectraBase Compound ID | JW3BHfaD2RS |
|---|---|
| InChI | InChI=1S/C46H59ClO4/c1-5-7-9-10-11-21-24-28-32-41-44(50-4)37-40(31-26-8-6-2)38-45(41)51-46(48)33-29-25-22-19-17-15-13-12-14-16-18-20-23-27-30-39-34-35-43(49-3)42(47)36-39/h12-20,22-23,25,27,29-30,33-38H,5-11,21,24,26,28,31-32H2,1-4H3/b14-12+,15-13+,18-16+,19-17+,23-20+,25-22+,30-27+,33-29+ |
| InChIKey | XOTPVNYFWVAJIK-AVJNFLCASA-N |
| Mol Weight | 711.4 g/mol |
| Molecular Formula | C46H59ClO4 |
| Exact Mass | 710.410188 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 69kNCalw6Sw |
|---|---|
| Name | 2,4,6,8,10,12,14,16-Heptadecaoctaenoic acid, 17-(3-chloro-4-methoxyphenyl)-, 2-decyl-3-methoxy-5-pentylphenyl ester |
| CAS Registry Number | 69505-91-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C46H59ClO4 |
| InChI | InChI=1S/C46H59ClO4/c1-5-7-9-10-11-21-24-28-32-41-44(50-4)37-40(31-26-8-6-2)38-45(41)51-46(48)33-29-25-22-19-17-15-13-12-14-16-18-20-23-27-30-39-34-35-43(49-3)42(47)36-39/h12-20,22-23,25,27,29-30,33-38H,5-11,21,24,26,28,31-32H2,1-4H3/b14-12+,15-13+,18-16+,19-17+,23-20+,25-22+,30-27+,33-29+ |
| InChIKey | XOTPVNYFWVAJIK-AVJNFLCASA-N |
| Molecular Weight | 711.427 g/mol |
| SMILES | CCCCCCCCCCc1c(OC)cc(CCCCC)cc1OC(=O)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\C=C\c1cc(Cl)c(OC)cc1 |
| SPLASH | splash10-0a4i-0693000000-a08fd386baa89f2ef12b |
| Source of Spectrum | K-112-204-0 |
| Synonyms | 2-Decyl-3-methoxy-5-pentylphenyl (2E,4E,6E,8E,10E,12E,14E,16E)-17-(3-chloro-4-methoxyphenyl)-2,4,6,8,10,12,14,16-heptadecaoctaenoate (2-decyl-3-methoxy-5-pentyl-phenyl) (2E,4E,6E,8E,10E,12E,14E,16E)-17-(3-chloranyl-4-methoxy-phenyl)heptadeca-2,4,6,8,10,12,14,16-octaenoate (2-decyl-3-methoxy-5-pentyl-phenyl) (2E,4E,6E,8E,10E,12E,14E,16E)-17-(3-chloro-4-methoxy-phenyl)heptadeca-2,4,6,8,10,12,14,16-octaenoate (2E,4E,6E,8E,10E,12E,14E,16E)-17-(3-chloro-4-methoxy-phenyl)heptadeca-2,4,6,8,10,12,14,16-octaenoic acid (5-amyl-2-decyl-3-methoxy-phenyl) ester (2E,4E,6E,8E,10E,12E,14E,16E)-17-(3-chloro-4-methoxyphenyl)heptadeca-2,4,6,8,10,12,14,16-octaenoic acid (2-decyl-3-methoxy-5-pentylphenyl) ester |
| Wiley ID | 1415366 |