1. Primary Information
| English name: | (5'Z,8'Z,11'Z,14'Z,17'Z)-5Z,8Z,11Z,14Z,17Z-eicosapentaenoic acid, 1,1'-[1-[[(1-oxohexadecyl)oxy]methyl]-1,2-ethanediyl] ester |
| CAS No.: | 115433-29-9 |
| Molecular formula: | C59H94O6 |
| Molecular weight: | 899.4 g/mol |
| SMILES: | CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC=CCC=CCC=CCC=CCC=CCC)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 | 25mg | >98% | 4432 | -20℃ | in stock | - |
| Kehua Intelligence | 100mg | >98% | 9288 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
[3-hexadecanoyloxy-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxypropyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
4.2 InChI
InChI=1S/C59H94O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,31-32,34-35,40-41,43-44,56H,4-6,9,12-15,18,21-24,29-30,33,36-39,42,45-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,34-31-,35-32-,43-40-,44-41-
4.3 InChIKey
QTNYDZPWHCXVJM-HTSKAZOUSA-N
4.4 Canonical SMILES
CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC=CCC=CCC=CCC=CCC=CCC)OC(=O)CCCC=CCC=CCC=CCC=CCC=CCC
4.5 Isomeric SMILES
CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
