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COA COO

Cyclosporin U (Ciclosporin EP Impurity D)

Impurity

CAS Number

108027-45-8

Molecular Formula

C61H109N11O12

Product format

Neat

Molecular Weight

1188.61

API Family

Ciclosporin

Synonyms

(3S, 6S, 9S, 12R, 15S, 18S, 21S, 24S, 30S, 33S)-30-ethyl-33-((1R, 2R, E)-1-hydroxy-2-methylhex-4-en-1-yl)-6, 9, 18, 24-tetraisobutyl-3, 21-diisopropyl-1, 4, 7, 10, 12, 15, 25, 28-octamethyl-1, 4, 7, 10, 13, 16, 19, 22, 25, 28, 31-undecaazacyclotritriacontan-2, 5, 8, 11, 14, 17, 20, 23, 26, 29 and 32-undecaone

Iupac Name

(3S, 6S, 9S, 12R, 15S, 18S, 21S, 24S, 30S, 33S)-30-ethyl-33-[(E, 1R, 2R)-1-hydroxy-2-methylhex-4-enyl]-1, 4, 7, 10, 12, 15, 25, 28-octamethyl-6, 9, 18, 24-tetrakis(2-methylpropyl)-3, 21-di(propan-2-yl)-1, 4, 7, 10, 13, 16, 19, 22, 25, 28, 31-undecazacyclotritriacontane-2, 5, 8, 11, 14, 17, 20, 23, 26, 29 and 32-undecone

InChI

InChI=1S/C61H109N11O12/c1-24-26-27-39(15)51(74)50-56(79)64-42(25-2)58(81)67(18)32-47(73)68(19)44(29-34(5)6)54(77)66-48(37(11)12)55(78)65-43(28-33(3)4)53(76)62-40(16)52(75)63-41(17)57(80)69(20)45(30-35(7)8)59(82)70(21)46(31-36(9)10)60(83)71(22)49(38(13)14)61(84)72(50)23/h24,26,33-46,48-51,74H,25,27-32H2,1-23H3,(H,62,76)(H,63,75)(H,64,79)(H,65,78)(H,66,77)/b26-24+/t39-,40+,41-,42+,43+,44+,45+,46+,48+,49+,50+,51-/m1/s1

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COA COO

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Synthesis

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