Analyte Name

21,21-Dichloro-17-hydroxy-pregna-4,9(11)-diene-3,20-dione

CAS Number

116816-80-9

Molecular Formula

C21H26Cl2O3

Molecular Weight

397.34

Accurate Mass

369.13

SMILES

[H][C@@]1(CC[C@@]2(C(C(Cl)Cl)=O)O)[C@@]2(CC=C([C@]34C)[C@@]1([H])CCC3=CC(CC4)=O)C

InChI

InChI=1S/C21H26Cl2O3/c1-19-8-5-13(24)11-12(19)3-4-14-15(19)6-9-20(2)16(14)7-10-21(20,26)17(25)18(22)23/h6,11,14,16,18,26H,3-5,7-10H2,1-2H3/t14-,16+,19+,20+,21+/m1/s1

IUPAC

(8S,10S,13S,14S,17R)-17-(2,2-dichloroacetyl)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,10,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat