CAS 212968-58-6 is the registry number for Verapatuline. Offered by: Biosynth. Available pack sizes: 50mg, 25mg, 100mg.
Methyl (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',6',10,11b-tetramethyl-11-oxospiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-carboxylate (CAS 212968-58-6) is a chemical compound with the molecular formula C29H41NO5 and a molecular weight of 483.6 g/mol. IUPAC name: methyl (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',6',10,11b-tetramethyl-11-oxospiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-carboxylate. InChIKey: BSYVNBXLPWSHPA-VFVYFEGOSA-N.
| Molecular formula | C29H41NO5 |
|---|---|
| Molecular weight | 483.6 g/mol |
| IUPAC name | methyl (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',6',10,11b-tetramethyl-11-oxospiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-carboxylate |
| InChIKey | BSYVNBXLPWSHPA-VFVYFEGOSA-N |
| SMILES | C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5C(=O)C4=C3C)C)O)C)N(C1)C(=O)OC |
Computed by PubChem (NCBI)