1. Primary Information
| English name: | Brassidic acid |
| CAS No.: | 506-33-2 |
| Molecular formula: | C22H42O2 |
| Molecular weight: | 338.6 g/mol |
| SMILES: | CCCCCCCCC=CCCCCCCCCCCCC(=O)O |
| Structural class: | |
| Other identifiers: |
13-docosenoic acid erucic acid erucic acid, (E)-isomer erucic acid, (Z)-isomer erucic acid, potassium salt, (Z)-isomer |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100mg | ≥98% | 902 | -20°C | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(E)-docos-13-enoic acid
4.2 InChI
InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/b10-9+
4.3 InChIKey
DPUOLQHDNGRHBS-MDZDMXLPSA-N
4.4 Canonical SMILES
CCCCCCCCC=CCCCCCCCCCCCC(=O)O
4.5 Isomeric SMILES
CCCCCCCC/C=C/CCCCCCCCCCCC(=O)O
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 --
