1. Primary Information
| English name: | (all-Z)-5,8,11,14,17-eicosapentaenoic acid, 2,3-bis[(1-oxotetradecyl)oxy]propyl ester |
| CAS No.: | 116198-40-4 |
| Molecular formula: | C51H88O6 |
| Molecular weight: | 797.2 g/mol |
| SMILES: | CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC=CCC=CCC=CCC=CCC=CCC)OC(=O)CCCCCCCCCCCCC |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 25mg | >98% | 5064 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
2,3-di(tetradecanoyloxy)propyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
4.2 InChI
InChI=1S/C51H88O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2/h7,10,16,19,23-24,26-27,32,35,48H,4-6,8-9,11-15,17-18,20-22,25,28-31,33-34,36-47H2,1-3H3/b10-7-,19-16-,24-23-,27-26-,35-32-
4.3 InChIKey
XVZKEWCRXPFBME-PUULZFANSA-N
4.4 Canonical SMILES
CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC=CCC=CCC=CCC=CCC=CCC)OC(=O)CCCCCCCCCCCCC
4.5 Isomeric SMILES
CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)OC(=O)CCCCCCCCCCCCC
