Products 111665-41-9
CAS 111665-41-9 is the registry number for Cincholic acid 3-O-β-D-quinovopyranoside. Offered by: MedChemExpress. Available pack sizes: Get quote.
(4aS,6aR,6bR,10S,12aR)-2,2,6b,9,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a,6a-dicarboxylic acid (CAS 111665-41-9) is a chemical compound with the molecular formula C36H56O9 and a molecular weight of 632.8 g/mol. IUPAC name: (4aS,6aR,6bR,10S,12aR)-2,2,6b,9,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a,6a-dicarboxylic acid. InChIKey: SBEFEKWSETYQKS-XQKJAACOSA-N.
| Molecular formula | C36H56O9 |
|---|---|
| Molecular weight | 632.8 g/mol |
| IUPAC name | (4aS,6aR,6bR,10S,12aR)-2,2,6b,9,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a,6a-dicarboxylic acid |
| InChIKey | SBEFEKWSETYQKS-XQKJAACOSA-N |
| SMILES | C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3(C(C2(C)C)CC[C@@]4(C3CC=C5[C@]4(CC[C@@]6(C5CC(CC6)(C)C)C(=O)O)C(=O)O)C)C)O)O)O |
Computed by PubChem (NCBI)