134590-88-8 (异-他克莫司,Iso-FK-506 (iso-Tacrolimus))

他克莫司内酯异构体;iso-他克莫司;异FK-506;异-FK-506;异-他克莫司;

Iso-FK-506 (iso-Tacrolimus);[3S-[3R*[1R*,2R*,4(1S*,3S*,4S*)],6S*,10R*,12R*,13R*,14R*,16S*,17S*,24aR*]]-6,9,10,11,12,13,14,15,16,17,22,23,24,24a-tetradecahydro-17-hydroxy-3-[2-hydroxy-4-(4-hydroxy-3-methoxycyclohexyl)-1,3-dimethyl-3-butenyl]-12,14-dimethoxy-8,10,16-trimethyl-6-(2-propenyl)-13,17-epoxy-3H-pyrido[2,1-c][1,4]oxaazacycloheneicosine-1,5,18,19(4H,21H)-tetrone;Iso-FK-506;134590-88-8;AP3VG6M3W4;ISO-FK 506;13,17-EPOXY-3H-PYRIDO(2,1-C)(1,4)OXAAZACYCLOHENEICOSINE-1,5,18,19(4H,21H)-TETRONE, 6,9,10,11,12,13,14,15,16,17,22,23,24,24A-TETRADECAHYDRO-17-HYDROXY-3-(2-HYDROXY-4-(4-HYDROXY-3-METHOXYCYCLOHEXYL)-1,3-DIMETHYL-3-BUTENYL)-12,14-DIMETHOXY-8,10,16-TRIMETHYL-6-(2-PROPENYL)-, (3S-(3R*(1R*,2R*,4(1S*,3S*,4S*)),6S*,10R*,12R*,13R*,14R*,16S*,17S*,24AR*))-;UNII-AP3VG6M3W4;

YXGKFJMGANONSQ-UHFFFAOYSA-N

InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-35(24-34(31)47)29(6)39(48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-33,35-40,46,48,52H,1,11-18,20,22-24H2,2-9H3

COC1CC(CCC1O)\C=C(/C)C(O)C(C)C1CC(=O)C(CC=C)\C=C(C)\CC(C)CC(OC)C2OC(O)(C(C)CC2OC)C(=O)C(=O)N2CCCCC2C(=O)O1 |c:25|