| SpectraBase Spectrum ID |
LBNa2mATpx2 |
| Name |
2,4,6,8,10,12-Tridecahexaenoic acid, 13-(4-methoxyphenyl)-, 3-methoxy-2-(9-methyldecyl)-5-pentylphenyl ester |
| Alternate Name(s) |
3-Methoxy-2-(9-methyldecyl)-5-pentylphenyl (2Z,4E,6E,8E,10E,12E)-13-(4-methoxyphenyl)-2,4,6,8,10,12-tridecahexaenoate
Mixture of 2-decyl-5-isohexyl- and 2-isoundecyl-5-pentyl-3-meo-phenyl 13-(4-meo-phenyl)-2,4,6,8,10,12-tridecahexaencarboxylate |
| CAS Registry Number |
71142-34-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C43H58O4 |
| InChI |
InChI=1S/C43H58O4/c1-6-7-20-27-38-34-41(46-5)40(28-23-18-15-14-16-21-25-36(2)3)42(35-38)47-43(44)29-24-19-13-11-9-8-10-12-17-22-26-37-30-32-39(45-4)33-31-37/h8-13,17,19,22,24,26,29-36H,6-7,14-16,18,20-21,23,25,27-28H2,1-5H3/b10-8+,11-9+,17-12+,19-13+,26-22+,29-24- |
| InChIKey |
BZCHUAMJHGXDQN-KBXBGQPUSA-N |
| Molecular Weight |
638.933 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/c1ccc(cc1)OC)=O |
| SPLASH |
splash10-074i-0691000000-394dc00c7e766c25f2dd |
| Source of Spectrum |
K-112-2006-0 |
| Wiley ID |
1412547 |
