1. Primary Information
| English name: | Agaricic Acid |
| CAS No.: | 666-99-9 |
| Molecular formula: | C22H40O7 |
| Molecular weight: | 416.5 g/mol |
| SMILES: | CCCCCCCCCCCCCCCCC(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| Structural class: | |
| Other identifiers: |
(+-)-agaricic acid 2-hydroxy-1,2,3-nonadecanetricarboxylic acid agaric acid agaricic acid agaricin |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 20mg | 95% | 320 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
2-hydroxynonadecane-1,2,3-tricarboxylic acid
4.2 InChI
InChI=1S/C22H40O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20(25)26)22(29,21(27)28)17-19(23)24/h18,29H,2-17H2,1H3,(H,23,24)(H,25,26)(H,27,28)
4.3 InChIKey
HZLCGUXUOFWCCN-UHFFFAOYSA-N
4.4 Canonical SMILES
CCCCCCCCCCCCCCCCC(C(=O)O)C(CC(=O)O)(C(=O)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 --
