| SpectraBase Spectrum ID |
B95Bw5TMwVS |
| Name |
2,4,6,8,10,12,14,16-Heptadecaoctaenoic acid, 17-(3-chloro-4-methoxyphenyl)-, 3-methoxy-2-(9-methyldecyl)-5-pentylphenyl ester |
| CAS Registry Number |
69505-92-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C47H61ClO4 |
| InChI |
InChI=1S/C47H61ClO4/c1-6-7-24-31-41-37-45(51-5)42(32-27-22-19-18-20-25-29-39(2)3)46(38-41)52-47(49)33-28-23-17-15-13-11-9-8-10-12-14-16-21-26-30-40-34-35-44(50-4)43(48)36-40/h8-17,21,23,26,28,30,33-39H,6-7,18-20,22,24-25,27,29,31-32H2,1-5H3/b10-8+,11-9+,14-12+,15-13+,21-16+,23-17+,30-26+,33-28- |
| InChIKey |
IMJRYVYITMILSL-VMTHVZCUSA-N |
| Molecular Weight |
725.454 g/mol |
| SMILES |
c1(c(c(OC)cc(c1)CCCCC)CCCCCCCCC(C)C)OC(\C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/c1cc(Cl)c(cc1)OC)=O |
| SPLASH |
splash10-0a4i-0594000000-d89c5607cebba826760e |
| Source of Spectrum |
K-112-204-0 |
| Synonyms |
3-Methoxy-2-(9-methyldecyl)-5-pentylphenyl (2Z,4E,6E,8E,10E,12E,14E,16E)-17-(3-chloro-4-methoxyphenyl)-2,4,6,8,10,12,14,16-heptadecaoctaenoate
Mixture of 2-decyl-5-isohexyl- and 2-isoundecyl-5-pentyl-3-meo-phenyl17-(3-cl-4-meo-phenyl)-2,4,6,8,10,12,14,16-heptadecanoctaencarboxylates |
| Wiley ID |
1415760 |
