CAS Number
Molecular Formula
C43H67NO12
Product format
Neat
Molecular Weight
790.00
API Family
Synonyms
Demethomycin; 127984-76-3; RefChem:336807; Tacrolimus 31-DMT; CHEMBL3544693; SCHEMBL19202681; DTXSID801318010; 15, 19-Epoxy-3H-pyrido[2, 1-c][1, 4]oxaazacyclotricosine-1, 7, 20, 21(4H, 23H)-tetrone, 3-[(1E)-2-[(1R, 3R, 4R)-3, 4-dihydroxycyclohexyl]-1-methylethenyl]-5, 6, 8, 11, 12, 13, 14, 15, 16, 17, 18, 19, 24, 25, 26, 26a-hexadecahydro-5, 19-dihydroxy-14, 16-dimethoxy-4, 10, 12, 18-tetramethyl-8-(2-propen-1-yl)-, (3S, 4R, 5S, 8R, 9E, 12S, 14S, 15R, 16S, 18R, 19R, 26aS)-; (3S, 4R, 5S, 8R, 12S, 14S, 15R, 16S, 18R, 19R, 26aS, E)-8-allyl-3-((E)-1-((1R, 3R, 4R)-3, 4-dihydroxycyclohexyl)prop-1-en-2-yl)-5, 19-dihydroxy-14, 16-dimethoxy-4, 10, 12, 18-tetramethyl-5, 6, 8, 11, 12, 13, 14, 15, 16, 17, 18, 19, 24, 25, 26, 26a-hexadecahydro-3H-15, 19-epoxypyrido[2, 1-c][1]oxa[4]azacyclotricosine-1, 7, 20, 21(4H and 23H)-tetraone
Iupac Name
(1R, 9S, 12S, 13R, 14S, 17R, 18E, 21S, 23S, 24R, 25S, 27R)-12-[(E)-1-[(1R, 3R, 4R)-3, 4-dihydroxycyclohexyl]prop-1-en-2-yl]-1, 14-dihydroxy-23, 25-dimethoxy-13, 19, 21, 27-tetramethyl-17-prop-2-enyl-11, 28-dioxa-4-azatricyclo[22.3.1.04, 9]octacos-18-ene-2, 3, 10 and 16-tetrone
InChI
InChI=1S/C43H67NO12/c1-9-12-30-18-24(2)17-25(3)19-36(53-7)39-37(54-8)21-27(5)43(52,56-39)40(49)41(50)44-16-11-10-13-31(44)42(51)55-38(28(6)33(46)23-34(30)47)26(4)20-29-14-15-32(45)35(48)22-29/h9,18,20,25,27-33,35-39,45-46,48,52H,1,10-17,19,21-23H2,2-8H3/b24-18+,26-20+/t25-,27+,28+,29-,30+,31-,32+,33-,35+,36-,37-,38+,39+,43+/m0/s1
