(E/Z)-FK-506 26,28-Allylic Ester Rearrangement Impurity

Product Specifications

Synonyms

17,21-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclopentacosine-1,9,22,23(6H,25H)-tetrone, 7,8,10,13,14,15,16,17,18,19,20,21,26,27,28,28a-hexadecahydro-7,21-dihydroxy-3-(4-hydroxy-3-methoxycyclohexyl)-16,18-dimethoxy-4,6,12,14,20-pentamethyl-10-(2-propenyl)-, [3R-[3R*(1R*,3R*,4R*),4E,6S*,7S*,10R*,11E,14S*,16S*,17R*,18S*,20R*,21R*,28aS*]]- (9CI); FK506-A; [3R-[3R*(1R*,3R*,4R*),4E,6S*,7S*,10R*,11E,14S*,16S*,17R*,18S*,20R*,21R*,28aS*]]-7,8,10,13,14,15,16,17,18,19,20,21,26,27,28,28a-Hexadecahydro-7,21-dihydroxy-3-(4-hydroxy-3-methoxycyclohexyl)-16,18-dimethoxy-4,6,12,14,20-pentamethyl-10-(2-propenyl)-17,21-epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclopentacosine-1,9,22,23(6H,25H)-tetrone; Tacrolimus Impurity D; (E/Z)-FK-506 26,28-Allylic Ester Rearrangement Impurity

Hazard Statement

Toxic if swallowed; UN number: UN2811; Packing Group: III

Smiles

CO[C@@H]1C[C@@H](CC[C@H]1O)[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@]4(O)O[C@H]([C@H](C[C@@H](C)C\C(=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@@H](C)\C=C\2/C)\C)OC)[C@H](C[C@H]4C)OC

Molecular Formula

C44 H69 N O12

Molecular Weight

804.02

InChI

InChI=1S/C44H69NO12/c1-10-13-30-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-29(6)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(31-15-16-33(46)36(23-31)53-7)28(5)21-27(4)34(47)24-35(30)48/h10,19,21,26-27,29-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,28-21+/t26-,27-,29+,30+,31+,32-,33+,34-,36+,37-,38-,39-,40+,44+/m0/s1