Analyte Name

(S,E)-16-Hydroxy-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-benzo[c][1]oxacyclotetradecin-14-yl (2,2,2-trichloroethyl) Sulfate

CAS Number

1439329-39-1

Molecular Formula

C20 H23 Cl3 O8 S

Molecular Weight

529.816

Accurate Mass

528.018

SMILES

C[C@H]1CCCC(=O)CCC\C=C\c2cc(OS(=O)(=O)OCC(Cl)(Cl)Cl)cc(O)c2C(=O)O1

InChI

InChI=1S/C20H23Cl3O8S/c1-13-6-5-9-15(24)8-4-2-3-7-14-10-16(11-17(25)18(14)19(26)30-13)31-32(27,28)29-12-20(21,22)23/h3,7,10-11,13,25H,2,4-6,8-9,12H2,1H3/b7-3+/t13-/m0/s1

IUPAC

[(4S,12E)-18-hydroxy-4-methyl-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(18),12,14,16-tetraen-16-yl] 2,2,2-trichloroethyl sulfate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat