Analyte Name

N-Desformyl-4-desacetyl Vincristine Disulfate Salt

Molecular Formula

C43 H54 N4 O8 . H2 S O4

Molecular Weight

951.07

Accurate Mass

950.33

SMILES

CC[C@]12[C@]3([C@]4(C5=CC([C@]6(C(OC)=O)C7=C(C8=CC=CC=C8N7)CC[N@]9C[C@@]([H])(C6)C[C@](C9)(CC)O)=C(C=C5N[C@]4([C@]([C@@H]2O)(C(OC)=O)O)[H])OC)CCN3CC=C1)[H].O=S(O)(O)=O.O=S(O)(O)=O

InChI

InChI=1S/C43H54N4O8.2H2O4S/c1-6-39(51)21-25-22-42(37(49)54-4,33-27(13-17-46(23-25)24-39)26-11-8-9-12-30(26)44-33)29-19-28-31(20-32(29)53-3)45-34-41(28)15-18-47-16-10-14-40(7-2,35(41)47)36(48)43(34,52)38(50)55-5;2*1-5(2,3)4/h8-12,14,19-20,25,34-36,44-45,48,51-52H,6-7,13,15-18,21-24H2,1-5H3;2*(H2,1,2,3,4)/t25-,34-,35+,36-,39+,40-,41+,42+,43+;;/m1../s1

IUPAC

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

Alternate CAS Number

Free form: 1285859-25-7

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat