1. Primary Information
| English name: | Methyl 21-hydroxyheneicosanoate |
| CAS No.: | 94035-98-0 |
| Molecular formula: | C22H44O3 |
| Molecular weight: | 356.6 g/mol |
| SMILES: | COC(=O)CCCCCCCCCCCCCCCCCCCCO |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 25mg | >98% | 7392 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
methyl 21-hydroxyhenicosanoate
4.2 InChI
InChI=1S/C22H44O3/c1-25-22(24)20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23/h23H,2-21H2,1H3
4.3 InChIKey
YCYYZXLJQNQRSH-UHFFFAOYSA-N
4.4 Canonical SMILES
COC(=O)CCCCCCCCCCCCCCCCCCCCO
4.5 Isomeric SMILES
-
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 --
