| SpectraBase Spectrum ID |
JmIhhEoEGcI |
| Name |
2,4,6,8,10,12,14,16-Heptadecaoctaenoic acid, 17-(3-chloro-4-hydroxyphenyl)-, 2-dodecyl-3-hydroxy-5-(2-methylpropyl)phenyl ester |
| CAS Registry Number |
78380-00-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C45H57ClO4 |
| InChI |
InChI=1S/C45H57ClO4/c1-4-5-6-7-8-9-17-20-23-26-29-40-43(48)35-39(33-37(2)3)36-44(40)50-45(49)30-27-24-21-18-15-13-11-10-12-14-16-19-22-25-28-38-31-32-42(47)41(46)34-38/h10-16,18-19,21-22,24-25,27-28,30-32,34-37,47-48H,4-9,17,20,23,26,29,33H2,1-3H3/b12-10+,13-11+,16-14+,18-15+,22-19+,24-21+,28-25+,30-27- |
| InChIKey |
FGTGLWITUJZAAK-IDLXIYOBSA-N |
| Molecular Weight |
697.400 g/mol |
| SMILES |
Oc1c(c(OC(\C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/c2ccc(c(c2)Cl)O)=O)cc(c1)CC(C)C)CCCCCCCCCCCC |
| SPLASH |
splash10-055r-0931000000-25533bba7179c65d54c1 |
| Source of Spectrum |
F-37-561-0 |
| Synonyms |
2-Dodecyl-3-hydroxy-5-(2-methylpropyl)-phenylester of 17-(3-chloro-4-hydroxyphenyl-2,4,6,8,10,12,14,16-heptadecaoctaenoic acid
2-Dodecyl-3-hydroxy-5-isobutylphenyl (2Z,4E,6E,8E,10E,12E,14E,16E)-17-(3-chloro-4-hydroxyphenyl)-2,4,6,8,10,12,14,16-heptadecaoctaenoate |
| Wiley ID |
1414956 |
