Products 179729-59-0
CAS 179729-59-0 is the registry number for Aflastatin A. Offered by: MedChemExpress. Available pack sizes: Get quote.
(3E,5R)-3-[(E,4S,6R,8S,9S,10S,11R,12R,13R,14S,15R,17S,18S,19R,20S,21R,23R,25S,27S,28R,29S,30S,31R)-1,8,9,11,13,15,17,19,21,23,25,27,28,29,30,31-hexadecahydroxy-2,4,6,10,12,14,18,20-octamethyl-32-[(2R,3S,4S,5S,6S)-3,4,5,6-tetrahydroxy-6-[(2R)-2-hydroxyundecyl]oxan-2-yl]dotriacont-2-enylidene]-1,5-dimethylpyrrolidine-2,4-dione (CAS 179729-59-0) is a chemical compound with the molecular formula C62H115NO24 and a molecular weight of 1258.6 g/mol. IUPAC name: (3E,5R)-3-[(E,4S,6R,8S,9S,10S,11R,12R,13R,14S,15R,17S,18S,19R,20S,21R,23R,25S,27S,28R,29S,30S,31R)-1,8,9,11,13,15,17,19,21,23,25,27,28,29,30,31-hexadecahydroxy-2,4,6,10,12,14,18,20-octamethyl-32-[(2R,3S,4S,5S,6S)-3,4,5,6-tetrahydroxy-6-[(2R)-2-hydroxyundecyl]oxan-2-yl]dotriacont-2-enylidene]-1,5-dimethylpyrrolidine-2,4-dione. InChIKey: VAQYWUJSXJULKR-YLMXTBCDSA-N.
| Molecular formula | C62H115NO24 |
|---|---|
| Molecular weight | 1258.6 g/mol |
| IUPAC name | (3E,5R)-3-[(E,4S,6R,8S,9S,10S,11R,12R,13R,14S,15R,17S,18S,19R,20S,21R,23R,25S,27S,28R,29S,30S,31R)-1,8,9,11,13,15,17,19,21,23,25,27,28,29,30,31-hexadecahydroxy-2,4,6,10,12,14,18,20-octamethyl-32-[(2R,3S,4S,5S,6S)-3,4,5,6-tetrahydroxy-6-[(2R)-2-hydroxyundecyl]oxan-2-yl]dotriacont-2-enylidene]-1,5-dimethylpyrrolidine-2,4-dione |
| InChIKey | VAQYWUJSXJULKR-YLMXTBCDSA-N |
| SMILES | CCCCCCCCC[C@H](C[C@]1([C@H]([C@H]([C@@H]([C@H](O1)C[C@H]([C@@H]([C@H]([C@@H]([C@H](C[C@H](C[C@H](C[C@H]([C@H](C)[C@H]([C@@H](C)[C@H](C[C@H]([C@H](C)[C@H]([C@@H](C)[C@H]([C@H](C)[C@@H]([C@H](C[C@H](C)C[C@H](C)/C=C(\C)/C(=C\2/C(=O)[C@H](N(C2=O)C)C)/O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O |
Computed by PubChem (NCBI)