(11alpha,16alpha)-21-(Acetyloxy)-2,4-dibromo-11,17-dihydroxy-16-methylpregnane-3,20-dione

Analyte Name

(11alpha,16alpha)-21-(Acetyloxy)-2,4-dibromo-11,17-dihydroxy-16-methylpregnane-3,20-dione

CAS Number

439807-59-7

Molecular Formula

C24 H34 Br2 O6

Molecular Weight

578.331

Accurate Mass

576.072

SMILES

C[C@@H]1C[C@H]2[C@@H]3CCC4C(Br)C(=O)C(Br)C[C@]4(C)[C@H]3[C@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C

InChI

InChI=1S/C24H34Br2O6/c1-11-7-15-13-5-6-14-20(26)21(30)16(25)8-22(14,3)19(13)17(28)9-23(15,4)24(11,31)18(29)10-32-12(2)27/h11,13-17,19-20,28,31H,5-10H2,1-4H3/t11-,13+,14?,15+,16?,17-,19-,20?,22+,23+,24+/m1/s1

IUPAC

[2-[(8S,9S,10R,11R,13S,14S,16R,17R)-2,4-dibromo-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat