Tiamulin

Analyte Name

Tiamulin

CAS Number

55297-95-5

Molecular Formula

C28 H47 N O4 S

Molecular Weight

493.74

Accurate Mass

493.3226

SMILES

CCN(CC)CCSCC(=O)O[C@@H]1C[C@@](C)(C=C)[C@@H](O)[C@H](C)[C@@]23CC[C@@H](C)[C@]1(C)[C@@H]2C(=O)CC3

InChI

InChI=1S/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19-,20+,22-,24+,25+,26-,27+,28+/m1/s1

IUPAC

(3aS,4R,5S,6S,8R,9R,9aR,10R)-6-Ethenyl-5-hydroxy- 4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propano-3aH-cyclopentacycloocten-8-yl [[2-(diethylamino)ethyl]sulfanyl]acetate

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API; Impurity

Product Format

Neat

API Family

Tiamulin; Pleuromutilin

Purity

>95% (HPLC)