1. Primary Information
| English name: | Octadecyl caffeate |
| CAS No.: | 69573-60-0 |
| Molecular formula: | C27H44O4 |
| Molecular weight: | 432.6 g/mol |
| SMILES: | CCCCCCCCCCCCCCCCCCOC(=O)C=CC1=CC(=C(C=C1)O)O |
| Structural class: | |
| Other identifiers: |
octadecyl caffeate Z-octadecyl caffeate |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Purchase | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | HPLC≥98% | 1500 | Buy now | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
octadecyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
4.2 InChI
InChI=1S/C27H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-31-27(30)21-19-24-18-20-25(28)26(29)23-24/h18-21,23,28-29H,2-17,22H2,1H3/b21-19+
4.3 InChIKey
QYVZEPLDLPYECM-XUTLUUPISA-N
4.4 Canonical SMILES
CCCCCCCCCCCCCCCCCCOC(=O)C=CC1=CC(=C(C=C1)O)O
4.5 Isomeric SMILES
CCCCCCCCCCCCCCCCCCOC(=O)/C=C/C1=CC(=C(C=C1)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 --
