1. Primary Information
| English name: | (4'Z,7'Z,10'Z,13'Z,16'Z,19'Z)-4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoic acid, diester with 1,2,3-propanetriol |
| CAS No.: | 124538-05-2 |
| Molecular formula: | C47H68O5 |
| Molecular weight: | 713.0 g/mol |
| SMILES: | CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OCC(COC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)O |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 25mg | >99% | 2040 | -20℃ | in stock | - |
| Kehua Intelligence | 100mg | >99% | 4152 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
[3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-2-hydroxypropyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
4.2 InChI
InChI=1S/C47H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-43-45(48)44-52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,35-38,45,48H,3-4,9-10,15-16,21-22,27-28,33-34,39-44H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-,38-36-
4.3 InChIKey
MXYFTPKXCFFQRG-GZSOIYOPSA-N
4.4 Canonical SMILES
CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OCC(COC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)O
4.5 Isomeric SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OCC(O)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
