C44H71NO13
Neat
822.06
Tacrolimus Impurity 6 (Tacrolimus Hydroxy Acid Impurity)
(4R, 6S, 7R, 8S, 10S, 14R, 17S, 18R, 19S, 22S)-3, 7, 17-trihydroxy-19-[(E)-1-[(1R, 3R, 4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-6, 8-dimethoxy-4, 10, 12, 18-tetramethyl-2, 15 and 21-trioxo-14-prop-2-enyl-20-oxa-1-azabicyclo[20.4.0]hexacos-12-ene-3-carboxylic acid
InChI=1S/C44H71NO13/c1-10-13-31-19-25(2)18-26(3)20-37(56-8)39(49)38(57-9)22-28(5)44(54,43(52)53)42(51)45-17-12-11-14-32(45)41(50)58-40(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)55-7/h10,19,21,26,28-34,36-40,46-47,49,54H,1,11-18,20,22-24H2,2-9H3,(H,52,53)/b25-19?,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44?/m0/s1