1. Primary Information
| English name: | 5Z,8Z,11Z,14Z,17Z-eicosapentaenoic acid, 2-[(1-oxohexadecyl)oxy]-1-[[(1-oxohexadecyl)oxy]methyl]ethyl ester |
| CAS No.: | 148691-18-3 |
| Molecular formula: | C55H96O6 |
| Molecular weight: | 853.3 g/mol |
| SMILES: | CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCC=CCC=CCC=CCC=CCC=CCC |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100mg | >98% | 9256 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
1,3-di(hexadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
4.2 InChI
InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3/h7,10,16,19,25-26,28,31,37,40,52H,4-6,8-9,11-15,17-18,20-24,27,29-30,32-36,38-39,41-51H2,1-3H3/b10-7-,19-16-,26-25-,31-28-,40-37-
4.3 InChIKey
CCKKDORBDQDVMQ-PDZACQBISA-N
4.4 Canonical SMILES
CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCC=CCC=CCC=CCC=CCC=CCC
4.5 Isomeric SMILES
CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
