Analyte Name

O-Biotinyl Neferine

Molecular Formula

C48 H58 N4 O8 S

Molecular Weight

851.061

Accurate Mass

850.398

SMILES

COc1ccc(C[C@H]2N(C)CCc3cc(OC)c(Oc4cc(C[C@@H]5N(C)CCc6cc(OC)c(OC)cc56)ccc4OC(=O)CCCC[C@@H]7SC[C@@H]8NC(=O)N[C@H]78)cc23)cc1

InChI

InChI=1S/C48H58N4O8S/c1-51-19-18-32-25-41(57-5)44(27-35(32)37(51)21-29-11-14-33(55-3)15-12-29)59-43-23-30(22-38-34-26-42(58-6)40(56-4)24-31(34)17-20-52(38)2)13-16-39(43)60-46(53)10-8-7-9-45-47-36(28-61-45)49-48(54)50-47/h11-16,23-27,36-38,45,47H,7-10,17-22,28H2,1-6H3,(H2,49,50,54)/t36-,37+,38-,45-,47-/m0/s1

IUPAC

[4-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-[[(1R)-6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]phenyl] 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat