9alpha-Bromo-21-deacetoxy Deflazacort

Analyte Name

9alpha-Bromo-21-deacetoxy Deflazacort

CAS Number

19888-63-2

Molecular Formula

C23 H28 Br N O4

Molecular Weight

462.377

Accurate Mass

461.12

SMILES

CC(=O)[C@@]12N=C(C)O[C@@H]1C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Br)[C@@H](O)C[C@]23C

InChI

InChI=1S/C23H28BrNO4/c1-12(26)23-19(29-13(2)25-23)10-17-16-6-5-14-9-15(27)7-8-20(14,3)22(16,24)18(28)11-21(17,23)4/h7-9,16-19,28H,5-6,10-11H2,1-4H3/t16-,17-,18-,19+,20-,21-,22-,23+/m0/s1

IUPAC

(1S,2S,4R,8S,9S,11S,12R,13S)-8-acetyl-12-bromo-11-hydroxy-6,9,13-trimethyl-5-oxa-7-azapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,14,17-trien-16-one

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat