1. Primary Information
| English name: | 4-Hydroxybutan-2-yl octadec-9-enoate;3-hydroxybutyl octadec-9-enoate |
| CAS No.: | 1435909-76-4 |
| Molecular formula: | C88H168O12 |
| Molecular weight: | 1418.3 g/mol |
| SMILES: | CCCCCCCCC=CCCCCCCCC(=O)OCCC(C)O.CCCCCCCCC=CCCCCCCCC(=O)OCCC(C)O.CCCCCCCCC=CCCCCCCCC(=O)OC(C)CCO.CCCCCCCCC=CCCCCCCCC(=O)OC(C)CCO |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 500mg | >99%(HPLC) | 4568 | 2-8℃，氮气保存 | in stock | - |
| Kehua Intelligence | 1g | >99%(HPLC) | 6592 | 2-8℃，氮气保存 | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
4-hydroxybutan-2-yl octadec-9-enoate;3-hydroxybutyl octadec-9-enoate
4.2 InChI
InChI=1S/4C22H42O3/c2*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(24)25-20-19-21(2)23;2*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(24)25-21(2)19-20-23/h4*10-11,21,23H,3-9,12-20H2,1-2H3
4.3 InChIKey
NTHKRDIUQCILKZ-UHFFFAOYSA-N
4.4 Canonical SMILES
CCCCCCCCC=CCCCCCCCC(=O)OCCC(C)O.CCCCCCCCC=CCCCCCCCC(=O)OCCC(C)O.CCCCCCCCC=CCCCCCCCC(=O)OC(C)CCO.CCCCCCCCC=CCCCCCCCC(=O)OC(C)CCO
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 --
