1. Primary Information
| English name: | 2,3-Bis[[(Z)-octadec-9-enoyl]oxy]propyl icosanoate |
| CAS No.: | 77145-65-4 |
| Molecular formula: | C59H110O6 |
| Molecular weight: | 915.5 g/mol |
| SMILES: | CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)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 | >99% | 3232 | -20℃ | in stock | - |
| Kehua Intelligence | 100mg | >99% | 7568 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl icosanoate
4.2 InChI
InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h26-27,30-31,56H,4-25,28-29,32-55H2,1-3H3/b30-26-,31-27-
4.3 InChIKey
JFKGKULDMWLHEK-VUGPWPOLSA-N
4.4 Canonical SMILES
CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC
4.5 Isomeric SMILES
CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC
4.6 SDF file
Coming soon
5. Spectroscopic data
5.1 13C nuclear magnetic resonance (13C NMR)
5.2 1H nuclear magnetic resonance (1H NMR)
5.3 Mass spectrometry (MS)
Coming soon
5.4 Infrared spectroscopy (IR)
Coming soon
5.5 Ultraviolet/visible spectroscopy (UV/Vis)
Coming soon
-- No 3D model data available --
