Products 1027067-40-8
CAS 1027067-40-8 appears in our catalog under these names: Temsirolimus Impurity 2 (Temsirolimus Isomer C), Temsirolimus Impurity 1, Temsirolimus Isomer C (Technical Grade). Offered by: Chemat Brand, TRC. Available pack sizes: on request, 10mg, 25mg.
[(1R,2R,4S)-4-[(2R)-2-[(8S,11S,14R,15Z,17R,18R,20R,22S,23Z,25Z,27Z,29S,31S,34R)-1,17-dihydroxy-18,29-dimethoxy-14,16,20,22,28,34-hexamethyl-2,9,13,19,35-pentaoxo-10,36-dioxa-3-azatricyclo[29.4.1.03,8]hexatriaconta-15,23,25,27-tetraen-11-yl]propyl]-2-methoxycyclohexyl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate (CAS 1027067-40-8) is a chemical compound with the molecular formula C56H87NO16 and a molecular weight of 1030.3 g/mol. IUPAC name: [(1R,2R,4S)-4-[(2R)-2-[(8S,11S,14R,15Z,17R,18R,20R,22S,23Z,25Z,27Z,29S,31S,34R)-1,17-dihydroxy-18,29-dimethoxy-14,16,20,22,28,34-hexamethyl-2,9,13,19,35-pentaoxo-10,36-dioxa-3-azatricyclo[29.4.1.03,8]hexatriaconta-15,23,25,27-tetraen-11-yl]propyl]-2-methoxycyclohexyl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate. InChIKey: PBNLCQXMVFPNMZ-VWKGPCQQSA-N.
| Molecular formula | C56H87NO16 |
|---|---|
| Molecular weight | 1030.3 g/mol |
| IUPAC name | [(1R,2R,4S)-4-[(2R)-2-[(8S,11S,14R,15Z,17R,18R,20R,22S,23Z,25Z,27Z,29S,31S,34R)-1,17-dihydroxy-18,29-dimethoxy-14,16,20,22,28,34-hexamethyl-2,9,13,19,35-pentaoxo-10,36-dioxa-3-azatricyclo[29.4.1.03,8]hexatriaconta-15,23,25,27-tetraen-11-yl]propyl]-2-methoxycyclohexyl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate |
| InChIKey | PBNLCQXMVFPNMZ-VWKGPCQQSA-N |
| SMILES | C[C@@H]1CC[C@H]2C[C@@H](/C(=C\C=C/C=C\[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C\[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(C1=O)(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC |
Computed by PubChem (NCBI)