1. Primary Information
| English name: | 1,3-Linolein-2-olein |
| CAS No.: | 2190-22-9 |
| Molecular formula: | C57H100O6 |
| Molecular weight: | 881.4 g/mol |
| SMILES: | CCCCCCCCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCC=CCC=CCCCCC |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 0.1ml | HPLC≥98% | 3360 | -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 (Z)-octadec-9-enoate
4.2 InChI
InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-30,54H,4-15,18,21-24,31-53H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27-
4.3 InChIKey
UDQCIYKUZOQISE-GGDOOUPISA-N
4.4 Canonical SMILES
CCCCCCCCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCC=CCC=CCCCCC
4.5 Isomeric SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC(COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC
