CAS Number
Molecular Formula
C44H69NO12
Product format
Neat
Molecular Weight
804.04
API Family
Synonyms
UNII-CJ99AS37NC; 1393890-33-9; CJ99AS37NC; Tacrolimus EP Impurity F; (3S, 4R, 5S, 8R, 9E, 12S, 14S, 15R, 16S, 18R, 19R, 26aS)-5, 15-Dihydroxy-3-((1E)-1-((1R, 3R, 4R)-4-hydroxy-3-methoxycyclohexyl)prop-1-en-2-yl)-14, 16-dimethoxy-4, 10, 12, 18-tetramethyl-8-(prop-2-en-1-yl)-3, 4, 5, 6, 11, 12, 13, 14, 15, 16, 17, 18, 24, 25, 26, 26a-hexadecahydro-7H-pyrido(2, 1-C)(1, 4)oxaazacyclotricosine-1, 7, 19, 20, 21(8H, 23H)-pentone; (5R, 7S, 8R, 9S, 11S, 13E, 15R, 18S, 19R, 20S, 23S)-8, 18-dihydroxy-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, 3, 4, 16, 22-pentone; TACROLIMUS RING-OPENING IMPURITY; Tacrolimus Impurity 16; TACROLIMUS COMPOUND I; TACROLIMUS IMPURITY F; TACROLIMUS COMPOUND I [EP IMPURITY]; TACROLIMUS MONOHYDRATE IMPURITY F [EP IMPURITY]; (3S, 4R, 5S, 8R, 12S, 14S, 15R, 16S, 18R, 26aS, E)-8-allyl-20-ethoxy-5, 15, 20-trihydroxy-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, 23H)-tetraone; (3S, 4R, 5S, 8R, 12S, 14S, 15R, 16S, 18R, 26aS, E)-8-allyl-5, 15-dihydroxy-3-((E)-1-((1R, 3R, 4R)-4-hydroxy-3-methoxycyclohexyl)prop-1-en-2-yl)-14, 16-dimethoxy-4, 10, 12, 18-tetramethyl-5, 6, 11, 12, 13, 14, 15, 16, 17, 18, 24, 25, 26, 26a-tetradecahydro-3H-pyrido[2, 1-c][1]oxa[4]azacyclotricosine-1, 7, 19, 20, 21(4H, 8H, 23H)-pentaone; 3H-PYRIDO(2, 1-C)(1, 4)OXAAZACYCLOTRICOSINE-1, 7, 19, 20, 21(4H, 8H, 23H)-PENTONE, 5, 6, 11, 12, 13, 14, 15, 16, 17, 18, 24, 25, 26, 26A-TETRADECAHYDRO-5, 15-DIHYDROXY-3-((1E)-2-((1R, 3R, 4R)-4-HYDROXY-3-METHOXYCYCLOHEXYL)-1-METHYLETHENYL)-14, 16-DIMETHOXY-4, 10, 12, 18-TETRAMETHYL-8-(2-PROPEN-1-YL)-, (3S, 4R, 5S, 8R, 9E, 12S, 14S, 15R, 16S, 18R and 26AS)-
Iupac Name
(5R, 7S, 8R, 9S, 11S, 13E, 15R, 18S, 19R, 20S, 23S)-8, 18-dihydroxy-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, 3, 4, 16 and 22-pentone
InChI
InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(55-8)40(50)38(56-9)22-27(4)39(49)41(51)43(52)45-17-12-11-14-32(45)44(53)57-42(29(6)34(47)24-35(31)48)28(5)21-30-15-16-33(46)36(23-30)54-7/h10,19,21,26-27,29-34,36-38,40,42,46-47,50H,1,11-18,20,22-24H2,2-9H3/b25-19+,28-21+/t26-,27+,29+,30-,31+,32-,33+,34-,36+,37-,38-,40+,42+/m0/s1
