(R)-Mertansine-13CD3

Analyte Name

(R)-Mertansine-13CD3

Molecular Formula

13C C34 D3 H45 Cl N3 O10 S

Molecular Weight

742.299

Accurate Mass

741.297

SMILES

[2H][13C]([2H])([2H])N([C@H](C)C(=O)O[C@H]1CC(=O)N(C)c2cc(C\C(=C\C=C\[C@@H](OC)[C@@]3(O)C[C@H](OC(=O)N3)[C@@H](C)[C@H]4O[C@@]14C)\C)cc(OC)c2Cl)C(=O)CCS

InChI

InChI=1S/C35H48ClN3O10S/c1-19-10-9-11-26(46-8)35(44)18-25(47-33(43)37-35)20(2)31-34(4,49-31)27(48-32(42)21(3)38(5)28(40)12-13-50)17-29(41)39(6)23-15-22(14-19)16-24(45-7)30(23)36/h9-11,15-16,20-21,25-27,31,44,50H,12-14,17-18H2,1-8H3,(H,37,43)/b11-9+,19-10+/t20-,21-,25+,26-,27+,31-,34+,35+/m1/s1/i5+1D3

IUPAC

[(1S,2R,3R,5S,6S,16E,18E,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(26),11,13,16,18-pentaen-6-yl] (2R)-2-[3-sulfanylpropanoyl(trideuterio(113C)methyl)amino]propanoate

SIL Type

Carbon, Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat