Analyte Name

21-Dehydro Budesonide

CAS Number

85234-63-5

Molecular Formula

C25 H32 O6

Molecular Weight

428.52

Accurate Mass

428.2199

SMILES

CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)C=O

InChI

InChI=1S/C25H32O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,13,16-18,20-22,28H,4-7,11-12H2,1-3H3/t16-,17-,18-,20+,21?,22+,23-,24-,25+/m0/s1

Country of Origin

CANADA