1. Primary Information
| English name: | Triheptanoin |
| CAS No.: | 620-67-7 |
| Molecular formula: | C24H44O6 |
| Molecular weight: | 428.6 g/mol |
| SMILES: | CCCCCCC(=O)OCC(COC(=O)CCCCCC)OC(=O)CCCCCC |
| Structural class: | |
| Other identifiers: |
glyceroltriheptanoate glyceryl triheptanoate triheptanoin |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100mg | ≥98% | 888 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
2,3-di(heptanoyloxy)propyl heptanoate
4.2 InChI
InChI=1S/C24H44O6/c1-4-7-10-13-16-22(25)28-19-21(30-24(27)18-15-12-9-6-3)20-29-23(26)17-14-11-8-5-2/h21H,4-20H2,1-3H3
4.3 InChIKey
PJHKBYALYHRYSK-UHFFFAOYSA-N
4.4 Canonical SMILES
CCCCCCC(=O)OCC(COC(=O)CCCCCC)OC(=O)CCCCCC
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 --
