CAS 271579-11-4 appears in our catalog under these names: Thonningianin A/ 99.94% (existing batch purity), Thonningianin A, Thonningianin A, Thonningianin A, 99%, 99%, Thonningianin A, 99.73%. Offered by: TargetMol, GLPBio, Biosynth, Chemat, MedChemExpress. Available pack sizes: 1mg, 5mg, 10mg, 25mg, 50mg, 100mg, 10 mg, 5 mg.
Thonningianin A is a tannin. It has a role as a metabolite.
Source: ChEBI
| Molecular formula | C42H34O21 |
|---|---|
| Molecular weight | 874.7 g/mol |
| IUPAC name | [(10R,11R,12R,13S,15R)-13-[3,5-dihydroxy-4-(3-phenylpropanoyl)phenoxy]-3,4,5,12,21,22,23-heptahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-11-yl] 3,4,5-trihydroxybenzoate |
| InChIKey | XQVKQEFQGYTUAR-VHBRHXFYSA-N |
| SMILES | C1[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C(C(=C3)O)C(=O)CCC4=CC=CC=C4)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O1)O)O)O)O)O)O |
Computed by PubChem (NCBI)