Products 157722-21-9
CAS 157722-21-9 appears in our catalog under these names: GentiournosideD, ≥98%, ≥98%, Gentiournoside D. Offered by: Chemat, MedChemExpress. Available pack sizes: 5mg, Get quote.
(1S,4aS,6S,7R,7aS)-6-(2,3-dihydroxybenzoyl)oxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid (CAS 157722-21-9) is a chemical compound with the molecular formula C23H28O13 and a molecular weight of 512.5 g/mol. IUPAC name: (1S,4aS,6S,7R,7aS)-6-(2,3-dihydroxybenzoyl)oxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid. InChIKey: CAKNXIQZWKLNKL-AOLCZBGXSA-N.
| Molecular formula | C23H28O13 |
|---|---|
| Molecular weight | 512.5 g/mol |
| IUPAC name | (1S,4aS,6S,7R,7aS)-6-(2,3-dihydroxybenzoyl)oxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid |
| InChIKey | CAKNXIQZWKLNKL-AOLCZBGXSA-N |
| SMILES | C[C@H]1[C@H](C[C@H]2[C@@H]1[C@@H](OC=C2C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC(=O)C4=C(C(=CC=C4)O)O |
Computed by PubChem (NCBI)
Synonyms:
Gentiournoside D, GentiournosideD