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COA COO

Tacrolimus-13C-d2

Impurity
Stable Isotope Labeled

CAS Number

1356841-89-8

Molecular Formula

C4313CH67D2NO12

Product format

Neat

Molecular Weight

807.04

Storage

-20°C

Shipping

Room Temperature

API Family

Tacrolimus

Synonyms

15, 19-epoxy-3H-pyrido[2, 1-c][1, 4]oxaazacyclotricosine-1, 7, 20, 21 (4H, 23H)-tetrone, 5, 6, 8, 11, 12, 13, 14, 15, 16, 17, 18, 19, 24, 25, 26, 26a-hexadecahydro-5, 19-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-3-13C-2, 2-d2)-, (3S, 4R, 5S, 8R, 9E, 12S, 14S, 15R, 16S, 18R, 19R and 26aS)

Iupac Name

(1R, 9S, 12S, 13R, 14S, 17R, 18Z, 21S, 23S, 24R, 25S, 27R)-17-(3, 3-dideuterio(313C)prop-2-enyl)-1, 14-dihydroxy-12-[(E)-1-[(1R, 3R, 4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23, 25-dimethoxy-13, 19, 21, 27-tetramethyl-11, 28-dioxa-4-azatricyclo[22.3.1.04, 9]octacos-18-ene-2, 3, 10 and 16-tetrone

InChI

InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,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+,44+/m0/s1/i1+1D2

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COA COO

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Synthesis

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