1. Primary Information
| English name: | Confluentic acid |
| CAS No.: | 6009-12-7 |
| Molecular formula: | C28H36O8 |
| Molecular weight: | 500.6 g/mol |
| SMILES: | CCCCCC1=C(C(=CC(=C1)OC(=O)C2=C(C=C(C=C2O)OC)CC(=O)CCCCC)OC)C(=O)O |
| Structural class: | |
| Other identifiers: |
confluentic acid |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | HPLC≥98% | 2400 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
4-[2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoyl]oxy-2-methoxy-6-pentylbenzoic acid
4.2 InChI
InChI=1S/C28H36O8/c1-5-7-9-11-18-14-22(17-24(35-4)26(18)27(31)32)36-28(33)25-19(13-20(29)12-10-8-6-2)15-21(34-3)16-23(25)30/h14-17,30H,5-13H2,1-4H3,(H,31,32)
4.3 InChIKey
UANVCGQMNRTKGM-UHFFFAOYSA-N
4.4 Canonical SMILES
CCCCCC1=C(C(=CC(=C1)OC(=O)C2=C(C=C(C=C2O)OC)CC(=O)CCCCC)OC)C(=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 --
