1. Primary Information
| English name: | Tuberculostearic acid |
| CAS No.: | 542-47-2 |
| Molecular formula: | C19H38O2 |
| Molecular weight: | 298.5 g/mol |
| SMILES: | CCCCCCCCC(C)CCCCCCCCC(=O)O |
| Structural class: | |
| Other identifiers: |
10-methyloctadecanoic acid 10-methylstearic acid tuberculostearic acid |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | ≥98% | 6000 | 2-8°C | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
10-methyloctadecanoic acid
4.2 InChI
InChI=1S/C19H38O2/c1-3-4-5-6-9-12-15-18(2)16-13-10-7-8-11-14-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)
4.3 InChIKey
BEOUGZFCUMNGOU-UHFFFAOYSA-N
4.4 Canonical SMILES
CCCCCCCCC(C)CCCCCCCCC(=O)O
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 --
