1. Primary Information
| English name: | 4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoic acid, 2-[(1-oxohexadecyl)oxy]-1-[[(1-oxohexadecyl)oxy]methyl]ethyl ester |
| CAS No.: | 214038-32-1 |
| Molecular formula: | C57H98O6 |
| Molecular weight: | 879.4 g/mol |
| SMILES: | CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC=CCC=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 | 25mg | >98% | 4624 | -20℃ | in stock | - |
| 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 (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
4.2 InChI
InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2)53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3/h7,10,16,19,25-26,28-29,33,36,42,45,54H,4-6,8-9,11-15,17-18,20-24,27,30-32,34-35,37-41,43-44,46-53H2,1-3H3/b10-7-,19-16-,26-25-,29-28-,36-33-,45-42-
4.3 InChIKey
FBUBTADVAQJSNW-JJGRXMOISA-N
4.4 Canonical SMILES
CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC
4.5 Isomeric SMILES
CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
