myo-Inositol Hexanicotinate

Analyte Name

Inositol Nicotinate

CAS Number

6556-11-2

Molecular Formula

C42 H30 N6 O12

Molecular Weight

810.72

Accurate Mass

810.1922

SMILES

O=C(O[C@@H]1[C@@H](OC(=O)c2cccnc2)[C@H](OC(=O)c3cccnc3)[C@@H](OC(=O)c4cccnc4)[C@@H](OC(=O)c5cccnc5)[C@H]1OC(=O)c6cccnc6)c7cccnc7

InChI

InChI=1S/C42H30N6O12/c49-37(25-7-1-13-43-19-25)55-31-32(56-38(50)26-8-2-14-44-20-26)34(58-40(52)28-10-4-16-46-22-28)36(60-42(54)30-12-6-18-48-24-30)35(59-41(53)29-11-5-17-47-23-29)33(31)57-39(51)27-9-3-15-45-21-27/h1-24,31-36H/t31-,32-,33-,34+,35-,36-

IUPAC

[2,3,4,5,6-pentakis(pyridine-3-carbonyloxy)cyclohexyl] pyridine-3-carboxylate

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat

API Family

Myo Inositol Hexanicotinate

Purity

>95% (HPLC)