Products 85734-94-7
CAS 85734-94-7 is the registry number for Niglizin. Offered by: MedChemExpress. Available pack sizes: Get quote.
(2S,3S,4S,5R,6S)-6-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-5-[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-tris(pyridine-3-carbonyloxy)oxan-2-yl]oxy-3,4-bis(pyridine-3-carbonyloxy)oxane-2-carboxylic acid (CAS 85734-94-7) is a chemical compound with the molecular formula C72H77N5O21 and a molecular weight of 1348.4 g/mol. IUPAC name: (2S,3S,4S,5R,6S)-6-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-5-[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-tris(pyridine-3-carbonyloxy)oxan-2-yl]oxy-3,4-bis(pyridine-3-carbonyloxy)oxane-2-carboxylic acid. InChIKey: ISAJAYOGCVKUKT-SLZBXOTFSA-N.
| Molecular formula | C72H77N5O21 |
|---|---|
| Molecular weight | 1348.4 g/mol |
| IUPAC name | (2S,3S,4S,5R,6S)-6-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-5-[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-tris(pyridine-3-carbonyloxy)oxan-2-yl]oxy-3,4-bis(pyridine-3-carbonyloxy)oxane-2-carboxylic acid |
| InChIKey | ISAJAYOGCVKUKT-SLZBXOTFSA-N |
| SMILES | C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)OC(=O)C7=CN=CC=C7)OC(=O)C8=CN=CC=C8)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)C(=O)O)OC(=O)C1=CN=CC=C1)OC(=O)C1=CN=CC=C1)OC(=O)C1=CN=CC=C1)C)(C)C(=O)O |
Computed by PubChem (NCBI)
Synonyms:
orb3174718