Analyte Name

Vinamidine-N-formyl-1-hydroxide Sulfate

Molecular Formula

C46H54N4O12 . x(H2O4S)

Molecular Weight

953.0

SMILES

OS(O)(=O)=O.O=C([C@@]1(C2N(C3=CC(OC)=C([C@@]4(C(OC)=O)C[C@@H](CN(CCC5=C4NC6=C5C=CC=C6)C=O)[C@H](C(CC)=O)O)C=C3[C@]27[C@@H]8[C@](CC)([C@H]1OC(C)=O)C=CCN8CC7)C=O)O)OC

InChI

InChI=1S/C46H54N4O12.H2O4S/c1-7-34(54)36(55)27-22-45(41(56)60-5,37-29(14-18-48(23-27)24-51)28-12-9-10-13-32(28)47-37)31-20-30-33(21-35(31)59-4)50(25-52)39-44(30)16-19-49-17-11-15-43(8-2,38(44)49)40(62-26(3)53)46(39,58)42(57)61-6;1-5(2,3)4/h9-13,15,20-21,24-25,27,36,38-40,47,55,58H,7-8,14,16-19,22-23H2,1-6H3;(H2,1,2,3,4)/t27-,36+,38-,39?,40+,43+,44+,45-,46-;/m0./s1

IUPAC

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

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat