1. Primary Information
| English name: | (5Z,5'Z,8Z,8'Z,11Z,11'Z,14Z,14'Z)-5,8,11,14-eicosatetraenoic acid, 1,1'-[2-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]-1,3-propanediyl] ester |
| CAS No.: | 869990-37-4 |
| Molecular formula: | C61H100O6 |
| Molecular weight: | 929.4 g/mol |
| SMILES: | CCCCCCCCC=CCCCCCCCC(=O)OC(COC(=O)CCCC=CCC=CCC=CCC=CCCCCC)COC(=O)CCCC=CCC=CCC=CCC=CCCCCC |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 25mg | >98% | 6048 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
[3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
4.2 InChI
InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,32-36,41-42,44-45,58H,4-15,18,21-24,30-31,37-40,43,46-57H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,32-27-,35-33-,36-34-,44-41-,45-42-
4.3 InChIKey
SAEJIAUYIKGGRO-YMUUCLGZSA-N
4.4 Canonical SMILES
CCCCCCCCC=CCCCCCCCC(=O)OC(COC(=O)CCCC=CCC=CCC=CCC=CCCCCC)COC(=O)CCCC=CCC=CCC=CCC=CCCCCC
4.5 Isomeric SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC(COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
