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COA COO

Maytansinoid DM4 Impurity 1

Impurity

CAS Number

796073-68-2

Molecular Formula

C39H50ClN3O10S2D6

Product format

Neat

Molecular Weight

832.51

API Family

Maytansine

Synonyms

DM4-Sme; 796073-68-2; orb1709855; AKOS040732995; DA-52618; MS-31535; [(1S, 2R, 3S, 5S, 6S, 16Z, 18Z, 20R, 21S)-11-Chloro-21-hydroxy-12, 20-dimethoxy-2, 5, 9, 16-tetramethyl-8, 23-dioxo-4, 24-dioxa-9, 22-diazatetracyclo[19.3.1.110, 14.03, 5]hexacosa-10, 12, 14(26), 16 and 18-pentaen-6-yl] (2S)-2-[methyl-[4-methyl-4-(methyldisulfanyl)pentanoyl]amino]propanoate

Iupac Name

[(1S, 2R, 3S, 5S, 6S, 16Z, 18Z, 20R, 21S)-11-chloro-21-hydroxy-12, 20-dimethoxy-2, 5, 9, 16-tetramethyl-8, 23-dioxo-4, 24-dioxa-9, 22-diazatetracyclo[19.3.1.110, 14.03, 5]hexacosa-10, 12, 14(26), 16 and 18-pentaen-6-yl] (2S)-2-[methyl-[4-methyl-4-(methyldisulfanyl)pentanoyl]amino]propanoate

InChI

InChI=1S/C39H56ClN3O10S2/c1-22-13-12-14-29(50-10)39(48)21-28(51-36(47)41-39)23(2)34-38(6,53-34)30(20-32(45)43(8)26-18-25(17-22)19-27(49-9)33(26)40)52-35(46)24(3)42(7)31(44)15-16-37(4,5)55-54-11/h12-14,18-19,23-24,28-30,34,48H,15-17,20-21H2,1-11H3,(H,41,47)/b14-12-,22-13-/t23-,24+,28+,29-,30+,34+,38+,39+/m1/s1

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COA COO

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Synthesis

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