CAS Number
Molecular Formula
C44H71NO13
Product format
Neat
Molecular Weight
822.06
API Family
Synonyms
Oxacyclohexane open ring tacrolimus; UNII-81QVK492XQ; 81QVK492XQ; 144432-23-5; (5R, 7S, 8R, 9S, 11S, 13E, 15R, 18S, 19R, 20S, 23S)-3, 3, 8, 18-tetrahydroxy-20-[(E)-1-[(1R, 3R, 4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-7, 9-dimethoxy-5, 11, 13, 19-tetramethyl-15-prop-2-enyl-21-oxa-1-azabicyclo[21.4.0]heptacos-13-ene-2, 4, 16, 22-tetrone; Tacrolimus Impurity 8; Tacrolimus Impurity 54; IO183660; Q27269265; (3S, 4R, 5S, 8R, 12S, 14S, 15R, 16S, 18R, 26aS, E)-8-allyl-5, 15, 20, 20-tetrahydroxy-3-((E)-1-((1R, 3R, 4R)-4-hydroxy-3-methoxycyclohexyl)prop-1-en-2-yl)-14, 16-dimethoxy-4, 10, 12, 18-tetramethyl-3, 4, 5, 6, 11, 12, 13, 14, 15, 16, 17, 18, 24, 25, 26, 26a-hexadecahydro-7H-pyrido[2, 1-c][1]oxa[4]azacyclotricosine-1, 7, 19, 21(8H, 20H and 23H)-tetraone
Iupac Name
(5R, 7S, 8R, 9S, 11S, 13E, 15R, 18S, 19R, 20S, 23S)-3, 3, 8, 18-tetrahydroxy-20-[(E)-1-[(1R, 3R, 4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-7, 9-dimethoxy-5, 11, 13, 19-tetramethyl-15-prop-2-enyl-21-oxa-1-azabicyclo[21.4.0]heptacos-13-ene-2, 4, 16 and 22-tetrone
InChI
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)41(50)44(53,54)43(52)45-17-12-11-14-32(45)42(51)58-40(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)55-7/h10,19,21,26,28-34,36-40,46-47,49,53-54H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+/m0/s1
