1. Primary Information
| English name: | (5Z,8Z,11Z,14Z)-5,8,11,14-eicosatetraenoic acid, 2,3-bis[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]propyl ester |
| CAS No.: | 91539-55-8 |
| Molecular formula: | C59H102O6 |
| Molecular weight: | 907.4 g/mol |
| SMILES: | CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCC=CCC=CCC=CCC=CCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 25mg | >99% | 3320 | -20℃ | in stock | - |
| Kehua Intelligence | 100mg | >99% | 8096 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
4.2 InChI
InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19,25-28,30-32,34,40,43,56H,4-15,17-18,20-24,29,33,35-39,41-42,44-55H2,1-3H3/b19-16-,28-25-,30-26-,31-27-,34-32-,43-40-
4.3 InChIKey
CKSBRWXVWDFKJD-DKDZBDDCSA-N
4.4 Canonical SMILES
CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCC=CCC=CCC=CCC=CCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC
4.5 Isomeric SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC
