Analyte Name

5'-Norleurosine Sulfate

Molecular Formula

C45 H54 N4 O9 . H2 S O4

Molecular Weight

893.01

Accurate Mass

892.356

SMILES

CC[C@]12C[N@]3CC(C[C@](C(=O)OC)(c4cc5c(cc4OC)N(C)[C@H]6C(O)([C@H](OC(=O)C)[C@@]7(CC)C=CCN8CC[C@@]56[C@H]78)C(=O)OC)c9[nH]c%10ccccc%10c9C3)[C@H]1O2.OS(=O)(=O)O

InChI

InChI=1S/C45H54N4O9.H2O4S/c1-8-41-15-12-17-49-18-16-43(36(41)49)29-19-30(33(54-5)20-32(29)47(4)37(43)45(53,40(52)56-7)38(41)57-25(3)50)44(39(51)55-6)21-26-22-48(24-42(9-2)35(26)58-42)23-28-27-13-10-11-14-31(27)46-34(28)44;1-5(2,3)4/h10-15,19-20,26,35-38,46,53H,8-9,16-18,21-24H2,1-7H3;(H2,1,2,3,4)/t26?,35-,36+,37-,38-,41+,42+,43+,44+,45?;/m1./s1

IUPAC

methyl (1S,12S,15R,17S)-12-[(1S,9R,11R,12S,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-10-methoxycarbonyl-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraen-4-yl]-17-ethyl-16-oxa-1,10-diazapentacyclo[12.4.1.03,11.04,9.015,17]nonadeca-3(11),4(9),5,7-tetraene-12-carboxylate;sulfuric acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat