Analytenname

19'-Oxovincaleukoblastine-d3 Sulfate

Molekularformel

C46H53D3N4O10 . x( H2O4S)

Molekulargewicht

926.1

SMILES

OS(O)(=O)=O.O=C([C@@]1([C@@]2(N(C3=CC(OC)=C([C@@]4(C(OC([2H])([2H])[2H])=O)C[C@H](C5=O)C[C@](O)(C[N@]5CCC6=C4NC7=C6C=CC=C7)CC)C=C3[C@]28[C@@]9([C@](CC)([C@H]1OC(C)=O)C=CCN9CC8)[H])C)[H])O)OC

InChI

InChI=1S/C46H56N4O10.H2O4S/c1-8-42(55)23-27-24-45(40(53)58-6,35-29(15-19-50(25-42)36(27)52)28-13-10-11-14-32(28)47-35)31-21-30-33(22-34(31)57-5)48(4)38-44(30)17-20-49-18-12-16-43(9-2,37(44)49)39(60-26(3)51)46(38,56)41(54)59-7;1-5(2,3)4/h10-14,16,21-22,27,37-39,47,55-56H,8-9,15,17-20,23-25H2,1-7H3;(H2,1,2,3,4)/t27-,37+,38-,39-,42+,43-,44-,45+,46+;/m1./s1/i6D3;

IUPAC

methyl (3aR,3a1R,4R,5S,5aR,10bR)-4-acetoxy-3a-ethyl-9-((3R,5S,7S,9S)-5-ethyl-5-hydroxy-9-((methoxy-d3)carbonyl)-15-oxo-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methano[1]azacycloundecino[5,4-b]indol-9-yl)-5-hydroxy-8-methoxy-6-methyl-3a,3a1,4,5,5a,6,11,12-octahydro-1H-indolizino[8,1-cd]carbazole-5-carboxylate sulfate

Nicht gekennzeichnete CAS-Nummer

free base: 61017-54-7

SIL-Typ

Deuterium

Versandtemperatur

Room Temperature

Herkunftsland

CANADA

Produkttyp

Stable Isotope Labelled

Produktformat

Neat