4-Chloro-6-(2-methyl-1H-imidazol-1-yl)pyrimidine

Analyte Name

4-Chloro-6-(2-methyl-1H-imidazol-1-yl)pyrimidine

CAS Number

941294-31-1

Molecular Formula

C56 H84 O21 S2

Molecular Weight

1157.384

Accurate Mass

1156.495

SMILES

CC1CCC2(C)OC3(C)CCC4OC5CC6OC7C[C@H](OS(=O)(=O)O)[C@@](C)(CCCOS(=O)(=O)O)OC7CC6OC5CC4OC3CC2OC8CC9OC%10CC%11OC(C(=C)CC%11OC%10(C)[C@H](O)C9OC18)[C@](C)(O)\C=C\C(=C)CC=C

InChI

InChI=1S/C56H84O21S2/c1-10-12-29(2)13-17-52(5,58)51-31(4)21-40-39(72-51)27-47-56(9,75-40)50(57)49-43(71-47)25-42-48(73-49)30(3)14-18-54(7)45(70-42)28-44-55(8,77-54)19-15-32-33(69-44)22-35-34(66-32)23-36-37(67-35)24-41-38(68-36)26-46(76-79(62,63)64)53(6,74-41)16-11-20-65-78(59,60)61/h10,13,17,30,32-51,57-58H,1-2,4,11-12,14-16,18-28H2,3,5-9H3,(H,59,60,61)(H,62,63,64)/b17-13+/t30?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46-,47?,48?,49?,50+,51?,52+,53+,54?,55?,56?/m0/s1

IUPAC

[(13R,14S,34R)-34-hydroxy-40-[(2R,3E)-2-hydroxy-5-methylideneocta-3,7-dien-2-yl]-13,25,27,30,35-pentamethyl-39-methylidene-13-(3-sulfooxypropyl)-4,8,12,17,21,26,32,36,41,45,49-undecaoxaundecacyclo[25.22.0.03,25.05,22.07,20.09,18.011,16.031,48.033,46.035,44.037,42]nonatetracontan-14-yl] hydrogen sulfate

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat