1. Primary Information
| English name: | 4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoic acid, 2,3-bis[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]propyl ester |
| CAS No.: | 116198-39-1 |
| Molecular formula: | C61H102O6 |
| Molecular weight: | 931.5 g/mol |
| SMILES: | CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)OC(=O)CCCCCCCC=CCCCCCCCC |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 25mg | >98% | 4856 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
4.2 InChI
InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30-33,36,39,45,48,58H,4-6,8-9,11-15,17-18,20-24,29,34-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,28-25-,31-30-,32-26-,33-27-,39-36-,48-45-
4.3 InChIKey
QFVBKJOYLFHVKV-DNVUEQEESA-N
4.4 Canonical SMILES
CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)OC(=O)CCCCCCCC=CCCCCCCCC
4.5 Isomeric SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)OC(=O)CCCCCCC/C=C\CCCCCCCC
