1. Primary Information
| English name: | 4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoic acid, 2-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]-1-[[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]methyl]ethyl ester |
| CAS No.: | 157363-75-2 |
| Molecular formula: | C61H98O6 |
| Molecular weight: | 927.4 g/mol |
| SMILES: | CCCCCC=CCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCC=CCCCCC)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 | 1mg | >98% | 5240 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
1,3-bis[[(9Z,12Z)-octadeca-9,12-dienoyl]oxy]propan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
4.2 InChI
InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16-21,25-28,30-33,37,40,46,49,58H,4-6,8-9,11-15,22-24,29,34-36,38-39,41-45,47-48,50-57H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,40-37-,49-46-
4.3 InChIKey
BXAFRFFCLQVNJP-AZAKSZIWSA-N
4.4 Canonical SMILES
CCCCCC=CCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCC=CCCCCC)OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC
4.5 Isomeric SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC
