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Temsirolimus

SZ CAT No SZ-T011001
CAS No 162635-04-3
Mol.F. C56H87NO16
Mol.Wt. 1030.3
Inv. Status Custom Synthesis


Chemical Name: (1R,2R,4S)-4-{(2R)-2-[(3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-9,27-dihydroxy-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-1,5,11,28,29-pentaoxo-1,4,5,6,9,10,11,12,13,14,21,22,23,24,25,26,27,28,29,31,32,33,34,34a-tetracosahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontin-3-yl]propyl}-2-methoxycyclohexyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate ;

Smiles: O=C(C([C@](O[C@]1([H])C[C@@H](/C(C)=C/C=C/C=C/[C@H]2C)OC)([C@@H](CC1)C)O)=O)N(CCCC3)[C@]3([H])C(O[C@](CC([C@@H](/C=C([C@H]([C@H](C([C@H](C)C2)=O)OC)O)\C)C)=O)([H])[C@H](C)C[C@H](CC[C@H]4OC(C(CO)(C)CO)=O)C[C@H]4OC)=O

Inchi: InChI=1S/C18H19N3O5S/c1-2-3-10-8-27-17-13(16(24)21(17)14(10)18(25)26)20-15(23)12(19)9-4-6-11(22)7-5-9/h2-8,12-14,17,22H,19H2,1H3,(H,20,23)(H,25,26)/b3-2-/t12-,13-,14?,17-/m1/s1